decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/02272615422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8601    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9786    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2856    1.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6036    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    4.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4726    5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1656    6.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    5.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    6.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    6.7655    0.0000 N   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  1  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  4  8  1  6  0  0  0
  1  9  1  1  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (1)
121

>  <Formula> (1)
C8H12N4O4

>  <MolWeight> (1)
228.20528

>  <Cat> (1)
S1200

>  <Name> (1)
Decitabine (NSC 127716)

>  <Synonyms> (1)
Deoxycytidine, Dacogen, 5-aza-2'-deoxycytidine, 5-AZA-dC, 5-aza-CdR,NSC 127716

>  <Target> (1)
Apoptosis related,DNA Methyltransferase,Nucleoside Analog/Antimetabolite

>  <Form> (1)
free base

>  <CAS> (1)
2353-33-5

>  <URL> (1)
http://selleckchem.com/products/Decitabine.html

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/02272615422D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.0024    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2)
170

>  <Formula> (2)
C18H20O2

>  <MolWeight> (2)
268.3502

>  <Cat> (2)
S1859

>  <Name> (2)
Diethylstilbestrol

>  <Synonyms> (2)
Stilbestrol

>  <Target> (2)
Estrogen/progestogen Receptor

>  <Form> (2)
free base

>  <CAS> (2)
56-53-1

>  <URL> (2)
http://selleckchem.com/products/Diethylstilbestrol(Stilbestrol).html

$$$$
Acitretin.cdx
csChFnd80/02272615422D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  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
 17 19  2  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
>  <Mol_ID> (3)
234

>  <Formula> (3)
C21H26O3

>  <MolWeight> (3)
326.42934

>  <Cat> (3)
S1368

>  <Name> (3)
Acitretin

>  <Synonyms> (3)
Etretin, RO 10-1670

>  <Target> (3)
Retinoid Receptor

>  <Form> (3)
free base

>  <CAS> (3)
55079-83-9

>  <URL> (3)
http://selleckchem.com/products/Acitretin.html

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/02272615422D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 17 26  1  6  0  0  0
 17 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (4)
405

>  <Formula> (4)
C22H28O5

>  <MolWeight> (4)
372.45472

>  <Cat> (4)
S1689

>  <Name> (4)
Meprednisone

>  <Synonyms> (4)
NSC 527579, SCH 4358

>  <Target> (4)
Glucocorticoid Receptor

>  <Form> (4)
free base

>  <CAS> (4)
1247-42-3

>  <URL> (4)
http://selleckchem.com/products/Betapar(Meprednisone).html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/02272615422D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (5)
447

>  <Formula> (5)
C5H5N5S

>  <MolWeight> (5)
167.1917

>  <Cat> (5)
S1774

>  <Name> (5)
Thioguanine (NSC 752)

>  <Synonyms> (5)
NSC 752,6-Thioguanine, 2-Amino-6-purinethiol

>  <Target> (5)
DNA Methyltransferase

>  <Form> (5)
free base

>  <CAS> (5)
154-42-7

>  <URL> (5)
http://selleckchem.com/products/Thioguanine.html

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/02272615422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   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  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (6)
451

>  <Formula> (6)
C8H12N4O5

>  <MolWeight> (6)
244.20468

>  <Cat> (6)
S1782

>  <Name> (6)
Azacitidine (5-Azacytidine)

>  <Synonyms> (6)
5-AzaC,Ladakamycin, AZA,5-Aza, CC-486,NSC 102816,5-Azacytidine

>  <Target> (6)
Autophagy,DNA Methyltransferase,Nucleoside Analog/Antimetabolite

>  <Form> (6)
free base

>  <CAS> (6)
320-67-2

>  <URL> (6)
http://selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
RG108.cdx
csChFnd80/02272615422D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.9792    4.6632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    5.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2411    2.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2411    4.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9050    4.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9931    0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2852    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    5.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 15  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  2  0  0  0  0
  1 26  1  1  0  0  0
M  END
>  <Mol_ID> (7)
560

>  <Formula> (7)
C19H14N2O4

>  <MolWeight> (7)
334.32546

>  <Cat> (7)
S2821

>  <Name> (7)
RG108

>  <Synonyms> (7)
N-Phthalyl-L-tryptophan

>  <Target> (7)
DNA Methyltransferase

>  <Form> (7)
free base

>  <CAS> (7)
48208-26-0

>  <URL> (7)
http://selleckchem.com/products/rg108.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/02272615422D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    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
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  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
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 18 12  1  0  0  0  0
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 19 20  2  0  0  0  0
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 22 17  1  0  0  0  0
 14 23  1  6  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
 27 28  2  0  0  0  0
 28 23  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
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (8)
675

>  <Formula> (8)
C22H18O11

>  <MolWeight> (8)
458.37172

>  <Cat> (8)
S2250

>  <Name> (8)
(-)-Epigallocatechin Gallate

>  <Synonyms> (8)
EGCG

>  <Target> (8)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (8)
free base

>  <CAS> (8)
989-51-5

>  <URL> (8)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/02272615422D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  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
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (9)
803

>  <Formula> (9)
C21H26ClN

>  <MolWeight> (9)
327.89084

>  <Cat> (9)
S2557

>  <Name> (9)
Terbinafine HCl

>  <Synonyms> (9)
KWD 201,KWD 2019,TDT 067 hydrochloride

>  <Target> (9)
Fungal

>  <Form> (9)
Hydrochloride

>  <CAS> (9)
78628-80-5

>  <URL> (9)
http://selleckchem.com/products/Terbinafine-hydrochloride-Lamisil.html

$$$$
Entacapone.cdx
csChFnd80/02272615422D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 14 16  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
  3 10  1  0  0  0  0
 21 22  3  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (10)
1018

>  <Formula> (10)
C14H15N3O5

>  <MolWeight> (10)
305.286

>  <Cat> (10)
S3147

>  <Name> (10)
Entacapone

>  <Synonyms> (10)
OR-611

>  <Target> (10)
COMT,Histone Methyltransferase

>  <Form> (10)
free base

>  <CAS> (10)
130929-57-6

>  <URL> (10)
http://selleckchem.com/products/entacapone.html

$$$$
Tolcapone.cdx
csChFnd80/02272615422D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (11)
1249

>  <Formula> (11)
C14H11NO5

>  <MolWeight> (11)
273.24084

>  <Cat> (11)
S4021

>  <Name> (11)
Tolcapone

>  <Synonyms> (11)
Ro 40-7592

>  <Target> (11)
COMT,Histone Methyltransferase,Transferase

>  <Form> (11)
free base

>  <CAS> (11)
134308-13-7

>  <URL> (11)
http://selleckchem.com/products/tolcapone.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/02272615422D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  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
  1  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
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (12)
1301

>  <Formula> (12)
C10H11NaO2

>  <MolWeight> (12)
186.18291

>  <Cat> (12)
S4125

>  <Name> (12)
Sodium Phenylbutyrate

>  <Synonyms> (12)
4-PBA, 4-Phenylbutyric acid, NaPB

>  <Target> (12)
HDAC

>  <Form> (12)
Sodium Salt

>  <CAS> (12)
1716-12-7

>  <URL> (12)
http://selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
Phenothiazine.cdx
csChFnd80/02272615422D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4326    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    2.7821    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    0.6989    0.0000 C   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
    4.8448    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  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 14  2  0  0  0  0
M  END
>  <Mol_ID> (13)
1418

>  <Formula> (13)
C12H9NS

>  <MolWeight> (13)
199.27156

>  <Cat> (13)
S4251

>  <Name> (13)
Phenothiazine

>  <Synonyms> (13)
ENT 38

>  <Target> (13)
Dopamine Receptor

>  <Form> (13)
free base

>  <CAS> (13)
92-84-2

>  <URL> (13)
http://selleckchem.com/products/phenothiazine.html

$$$$
Terbinafine.cdx
csChFnd80/02272615422D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8882    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0938    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3016    5.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0945    7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3062    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  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
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (14)
1445

>  <Formula> (14)
C21H25N

>  <MolWeight> (14)
291.4299

>  <Cat> (14)
S1725

>  <Name> (14)
Terbinafine

>  <Synonyms> (14)
SF 86-327,TDT 067

>  <Target> (14)
Fungal

>  <Form> (14)
Free Base

>  <CAS> (14)
91161-71-6

>  <URL> (14)
http://selleckchem.com/products/Terbinafine(Lamisil).html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/02272615422D

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    4.9980    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  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
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (15)
1485

>  <Formula> (15)
C13H22ClN3O

>  <MolWeight> (15)
271.78628

>  <Cat> (15)
S4294

>  <Name> (15)
Procainamide HCl

>  <Synonyms> (15)
N/A

>  <Target> (15)
DNA Methyltransferase,Sodium Channel

>  <Form> (15)
Hydrochloride

>  <CAS> (15)
614-39-1

>  <URL> (15)
http://selleckchem.com/products/procainamide-hcl.html

$$$$
Meclofenamate sodium.cdx
csChFnd80/02272615422D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 Na  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  6 16  1  0  0  0  0
  4 17  1  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (16)
1487

>  <Formula> (16)
C14H10Cl2NNaO2

>  <MolWeight> (16)
318.13047

>  <Cat> (16)
S4295

>  <Name> (16)
Meclofenamate Sodium

>  <Synonyms> (16)
CI 583

>  <Target> (16)
COX,FTO

>  <Form> (16)
Sodium Salt

>  <CAS> (16)
6385-02-0

>  <URL> (16)
http://selleckchem.com/products/meclofenamate-sodium.html

$$$$
Sertaconazole nitrate.cdx
csChFnd80/02272615422D

 31 33  0  0  0  0  0  0  0  0999 V2000
   11.1920    5.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3661    4.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0038    3.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6057    2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1040    4.2823    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7517    4.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3894    5.9969    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3793    6.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0170    8.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0069    9.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3592    8.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7216    7.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7316    6.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3492    9.9567    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6647    8.7015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0371    6.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    5.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    5.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    6.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    6.7930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6874    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.3874    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3874    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2874    1.2124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
  7  8  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  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
 18 26  2  0  0  0  0
 19 23  2  0  0  0  0
 26 27  1  0  0  0  0
 17 20  1  0  0  0  0
  7 16  1  0  0  0  0
  5  6  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (17)
1517

>  <Formula> (17)
C20H16Cl3N3O4S

>  <MolWeight> (17)
500.78274

>  <Cat> (17)
S3161

>  <Name> (17)
Sertaconazole nitrate

>  <Synonyms> (17)
FI-7045,FI7056

>  <Target> (17)
Fungal

>  <Form> (17)
Nitrate

>  <CAS> (17)
99592-39-9

>  <URL> (17)
http://selleckchem.com/products/sertaconazole-nitrate.html

$$$$

csChFnd80/02272615422D

 29 27  0  0  0  0  0  0  0  0999 V2000
   11.8884    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8884    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    4.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4462    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5326    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130    6.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2322    0.0080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5356    6.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9605    4.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    6.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9605    2.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9602    6.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1676    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7516    2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1676    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7516    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7708    9.5412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3708    9.5412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.7732    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
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 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
M  END
>  <Mol_ID> (18)
1587

>  <Formula> (18)
C20H28Cl3N3O3

>  <MolWeight> (18)
464.81362

>  <Cat> (18)
S4589

>  <Name> (18)
Amodiaquine dihydrochloride dihydrate

>  <Synonyms> (18)
N/A

>  <Target> (18)
Histone Methyltransferase,HNMT,Transferase

>  <Form> (18)
dihydrochloride dihydrate

>  <CAS> (18)
6398-98-7

>  <URL> (18)
http://selleckchem.com/products/amodiaquine-dihydrochloride-dihydrate.html

$$$$

csChFnd80/02272615422D

 49 50  0  0  0  0  0  0  0  0999 V2000
    7.5197    4.8341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2978    4.8341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8341    8.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6124    8.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3904    8.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    7.2604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    3.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1859    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6671    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    4.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5008    1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8343    0.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0372    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226    5.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    5.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5567    3.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2963    2.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8715    1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226    6.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    6.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    8.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    7.2604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8356    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    4.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0019    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1504    1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8543    3.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2797    3.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4840    0.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6869    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3723    5.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7801    5.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2064    3.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9460    2.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5212    1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6497    1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3723    6.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7801    6.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    8.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  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
 20 26  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 36  2  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
 32 41  1  0  0  0  0
 32 42  1  0  0  0  0
 33 38  1  0  0  0  0
 33 40  2  0  0  0  0
 34 37  1  0  0  0  0
 34 39  2  0  0  0  0
 35 43  1  0  0  0  0
 36 44  1  0  0  0  0
 37 38  2  0  0  0  0
 39 45  1  0  0  0  0
 40 46  1  0  0  0  0
 41 47  1  0  0  0  0
 42 48  1  0  0  0  0
 43 45  2  0  0  0  0
 44 46  2  0  0  0  0
M  END
>  <Mol_ID> (19)
1595

>  <Formula> (19)
C42H50Cl2N2O3

>  <MolWeight> (19)
701.764

>  <Cat> (19)
S4635

>  <Name> (19)
Cyproheptadine hydrochloride sesquihydrate

>  <Synonyms> (19)
Periactin hydrochloride, Peritol

>  <Target> (19)
5-HT Receptor,SETD

>  <Form> (19)
hydrochloride sesquihydrate

>  <CAS> (19)
41354-29-4

>  <URL> (19)
https://www.selleckchem.com/products/cyproheptadine-hydrochloride-sesquihydrate.html

$$$$
Azatadine dimaleate.cdx
csChFnd80/02272615422D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.0965    7.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7070    5.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1034    5.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8891    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    8.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8822    8.3639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    4.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386    4.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    6.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4276    7.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    6.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    5.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    4.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690   11.6233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1248   11.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4228    9.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328    8.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    9.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791   10.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711   12.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0021    2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3021    4.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9021    4.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2021    2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4021    2.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3021    1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9021    1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8021    2.8166    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  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  2  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 11 19  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 31 35  2  0  0  0  0
 31 36  1  0  0  0  0
 34 37  2  0  0  0  0
 34 38  1  0  0  0  0
M  END
>  <Mol_ID> (20)
1692

>  <Formula> (20)
C28H30N2O8

>  <MolWeight> (20)
522.5464

>  <Cat> (20)
S3186

>  <Name> (20)
Azatadine dimaleate

>  <Synonyms> (20)
SCH10649,Azatadine Maleate

>  <Target> (20)
Histamine Receptor

>  <Form> (20)
Dimaleate

>  <CAS> (20)
3978-86-7

>  <URL> (20)
http://selleckchem.com/products/azatadine-dimaleate.html

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/02272615422D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6598    2.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4399    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    0.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7737    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    4.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    6.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    8.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  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 10  2  0  0  0  0
  8  9  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
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (21)
1766

>  <Formula> (21)
C12H11N5O

>  <MolWeight> (21)
241.24864

>  <Cat> (21)
S3658

>  <Name> (21)
O6-Benzylguanine

>  <Synonyms> (21)
O6-BG

>  <Target> (21)
DNA alkylator

>  <Form> (21)
free base

>  <CAS> (21)
19916-73-5

>  <URL> (21)
http://selleckchem.com/products/o6-benzylguanine.html

$$$$
S3722 Isavuconazole.cdx
csChFnd80/02272615422D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.3607    6.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859    4.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6040    3.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9969    3.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5717    5.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7536    6.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    4.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6672    6.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0379    6.2478    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9672    5.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8971    4.2908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1769    4.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3894    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5996    4.8510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9003    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3894    2.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3003    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7003    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4003    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7003    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3003    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4003    4.8497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8120    5.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2837    8.7904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0713    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309    8.5536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9927    7.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  3  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
  2  7  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  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 15  1  0  0  0  0
 11  5  1  0  0  0  0
 14 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 22 24  1  0  0  0  0
 19 25  1  0  0  0  0
 15 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 16 30  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (22)
1779

>  <Formula> (22)
C22H17F2N5OS

>  <MolWeight> (22)
437.4650864

>  <Cat> (22)
S3722

>  <Name> (22)
Isavuconazole

>  <Synonyms> (22)
BAL-4815, RO-0094815

>  <Target> (22)
Fungal

>  <Form> (22)
free base

>  <CAS> (22)
241479-67-4

>  <URL> (22)
http://selleckchem.com/products/isavuconazole.html

$$$$
S3639 Tacrine hydrochloride hydrate.cdx
csChFnd80/02272615422D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    2.4488    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    0.9175    0.0000 R   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  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
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
A   16
?xHCl?
A   17
?xH2O?
M  END
>  <Mol_ID> (23)
1804

>  <Formula> (23)
C13H14N2R2

>  <MolWeight> (23)
198.26366

>  <Cat> (23)
S3639

>  <Name> (23)
Tacrine hydrochloride hydrate

>  <Synonyms> (23)
Tacrine, Tetrahydroaminacrine, Tetrahydroaminoacridine

>  <Target> (23)
AChR,HNMT

>  <Form> (23)
hydrochloride hydrate

>  <CAS> (23)
206658-92-6

>  <URL> (23)
http://selleckchem.com/products/tacrine-hydrochloride-hydrate.html

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/02272615422D

 47 52  0  0  0  0  0  0  0  0999 V2000
   14.5413    4.9362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3308    4.2329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7557    4.2394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3271    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5376    6.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    2.8328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1165    4.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9662    4.9427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7595    2.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7481    7.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239    2.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9058    4.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9624    6.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2988    4.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1163    3.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9096    2.8262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0267    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2269    1.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2926    6.7788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1050    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1187    5.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6970    2.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7217    8.1114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4867    2.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0903    8.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7821    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    4.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5193    9.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8880   10.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3170   11.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    2.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6856   11.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3774   12.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4223    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    0.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    2.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    1.4328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7519    5.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6449    7.1411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  4  1  1  0  0  0
  3  8  1  0  0  0  0
  3  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  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 13 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  1  0  0  0
 15 22  1  0  0  0  0
 17 23  1  1  0  0  0
 20 24  1  0  0  0  0
 20 22  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  6  0  0  0
 25 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 30  1  0  0  0  0
 28 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  2  0  0  0  0
 36 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  2  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
  6 45  1  6  0  0  0
  3 46  1  1  0  0  0
 20 47  1  6  0  0  0
M  END
>  <Mol_ID> (24)
1850

>  <Formula> (24)
C40H58O4

>  <MolWeight> (24)
602.88612

>  <Cat> (24)
S3957

>  <Name> (24)
Gamma-Oryzanol

>  <Synonyms> (24)
N/A

>  <Target> (24)
DNA Methyltransferase

>  <Form> (24)
free base

>  <CAS> (24)
11042-64-1

>  <URL> (24)
http://selleckchem.com/products/gamma-oryzanol.html

$$$$
EPZ004777.cdx
csChFnd80/02272615422D

 39 42  0  0  0  0  0  0  0  0999 V2000
   10.4479    5.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3221    4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    4.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9127    3.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6291    4.4546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    3.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2196    4.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    3.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516    1.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5352    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1258    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0705    2.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7315    4.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8573    5.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1409    4.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6995    6.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8253    7.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4159    7.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667    5.5479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.6017    5.1262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4153    6.2656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.5831    7.3914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2552    6.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0047    8.7264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8152    6.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0453    3.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3326    9.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3211   10.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9861   10.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1725    9.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5507    8.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7574    9.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7459   10.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5277   11.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5162   12.6798    0.0000 N   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  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
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 25 29  1  6  0  0  0
 24 30  1  6  0  0  0
 23 19  1  1  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (25)
1944

>  <Formula> (25)
C28H41N7O4

>  <MolWeight> (25)
539.66964

>  <Cat> (25)
S7353

>  <Name> (25)
EPZ004777

>  <Synonyms> (25)
N/A

>  <Target> (25)
Apoptosis related,DOT1,Histone Methyltransferase

>  <Form> (25)
free base

>  <CAS> (25)
1338466-77-5

>  <URL> (25)
http://selleckchem.com/products/epz004777.html

$$$$
AGI5198.cdx
csChFnd80/02272615422D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.7290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4820    6.1388    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  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (26)
1958

>  <Formula> (26)
C27H31FN4O2

>  <MolWeight> (26)
462.5590432

>  <Cat> (26)
S7185

>  <Name> (26)
AGI-5198

>  <Synonyms> (26)
IDH-C35

>  <Target> (26)
Dehydrogenase

>  <Form> (26)
free base

>  <CAS> (26)
1355326-35-0

>  <URL> (26)
http://selleckchem.com/products/agi-5198.html

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/02272615422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5490    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    4.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    5.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491    6.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  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
  9 12  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (27)
2018

>  <Formula> (27)
C10H12O2

>  <MolWeight> (27)
164.20108

>  <Cat> (27)
S4771

>  <Name> (27)
¦Â-thujaplicin

>  <Synonyms> (27)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (27)
DNA Methyltransferase

>  <Form> (27)
free base

>  <CAS> (27)
499-44-5

>  <URL> (27)
http://selleckchem.com/products/beta-thujaplicin.html

$$$$
S3879 kaempferide.cdx
csChFnd80/02272615422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (28)
2072

>  <Formula> (28)
C16H12O6

>  <MolWeight> (28)
300.26288

>  <Cat> (28)
S3879

>  <Name> (28)
Kaempferide

>  <Synonyms> (28)
4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether

>  <Target> (28)
EGFR

>  <Form> (28)
free base

>  <CAS> (28)
491-54-3

>  <URL> (28)
http://selleckchem.com/products/kaempferide.html

$$$$
Clindamycin.cdx
csChFnd80/02272615422D

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7576    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    4.4810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    5.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    7.1759    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  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  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
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (29)
2177

>  <Formula> (29)
C18H33ClN2O5S

>  <MolWeight> (29)
424.98302

>  <Cat> (29)
S2830

>  <Name> (29)
Clindamycin

>  <Synonyms> (29)
N/A

>  <Target> (29)
Bacterial

>  <Form> (29)
Free Base

>  <CAS> (29)
18323-44-9

>  <URL> (29)
http://selleckchem.com/products/clindamycin.html

$$$$
(+)-JQ1.cdx
csChFnd80/02272615422D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.9352    9.3659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3657    8.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    7.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    7.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    9.2213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    5.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545    4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3467    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213    7.2634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    7.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343    5.1715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143    3.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179    3.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268    2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1245    2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2527    3.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5515    2.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
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 10 24  1  6  0  0  0
M  END
>  <Mol_ID> (30)
2206

>  <Formula> (30)
C23H25ClN4O2S

>  <MolWeight> (30)
456.9882

>  <Cat> (30)
S7110

>  <Name> (30)
(+)-JQ1

>  <Synonyms> (30)
N/A

>  <Target> (30)
Autophagy,Epigenetic Reader Domain,NSD,Target Protein Ligand

>  <Form> (30)
free base

>  <CAS> (30)
1268524-70-4

>  <URL> (30)
http://selleckchem.com/products/jq1.html

$$$$
GSK J4 HCL.cdx
csChFnd80/02272615422D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.9570    4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930    2.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2996    5.1221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015    5.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9688    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2795    7.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5705    8.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1737    8.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8771    9.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7901    8.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0874    7.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7031    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3365    3.1160    0.0000 Cl  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  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11  3  1  0  0  0  0
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 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (31)
2207

>  <Formula> (31)
C24H28ClN5O2

>  <MolWeight> (31)
453.96442

>  <Cat> (31)
S7070

>  <Name> (31)
GSK J4 HCl (GSKJ4 HCl)

>  <Synonyms> (31)
N/A

>  <Target> (31)
Histone Demethylase,JMJD

>  <Form> (31)
Hydrochloride

>  <CAS> (31)
1797983-09-5

>  <URL> (31)
http://selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
csChFnd80/02272615422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3523    2.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    3.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5647    5.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    3.5753    0.0000 O   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  1  0  0  0
  1  4  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (32)
2210

>  <Formula> (32)
C9H12N2O5

>  <MolWeight> (32)
228.20198

>  <Cat> (32)
S7113

>  <Name> (32)
Zebularine (NSC 309132)

>  <Synonyms> (32)
4-Deoxyuridine

>  <Target> (32)
DNA Methyltransferase

>  <Form> (32)
free base

>  <CAS> (32)
3690-10-6

>  <URL> (32)
http://selleckchem.com/products/zebularine.html

$$$$
CPI-169.cdx
csChFnd80/02272615422D

 37 40  0  0  0  0  0  0  0  0999 V2000
    5.2541    2.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0308    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4279    1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0483    3.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2717    4.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    4.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3961    3.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4525    4.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7608    6.7038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4042    7.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0255    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 20 21  1  0  0  0  0
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  8 23  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 29 30  1  0  0  0  0
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 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
>  <Mol_ID> (33)
2228

>  <Formula> (33)
C27H36N4O5S

>  <MolWeight> (33)
528.66354

>  <Cat> (33)
S7616

>  <Name> (33)
CPI-169

>  <Synonyms> (33)
N/A

>  <Target> (33)
EZH1/2,Histone Methyltransferase

>  <Form> (33)
free base

>  <CAS> (33)
1450655-76-1

>  <URL> (33)
http://selleckchem.com/products/cpi-169.html

$$$$
AZ5104.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (34)
2231

>  <Formula> (34)
C27H31N7O2

>  <MolWeight> (34)
485.58074

>  <Cat> (34)
S7298

>  <Name> (34)
AZ5104

>  <Synonyms> (34)
N/A

>  <Target> (34)
EGFR

>  <Form> (34)
free base

>  <CAS> (34)
1421373-98-9

>  <URL> (34)
http://selleckchem.com/products/az5104.html

$$$$
AMI-1.cdx
csChFnd80/02272615422D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (35)
2239

>  <Formula> (35)
C21H14N2Na2O9S2

>  <MolWeight> (35)
548.4534

>  <Cat> (35)
S7884

>  <Name> (35)
AMI-1

>  <Synonyms> (35)
N/A

>  <Target> (35)
Histone Methyltransferase,PRMT

>  <Form> (35)
disodium salt

>  <CAS> (35)
20324-87-2

>  <URL> (35)
http://selleckchem.com/products/ami-1.html

$$$$
GSK503.cdx
csChFnd80/02272615422D

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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (36)
2253

>  <Formula> (36)
C31H38N6O2

>  <MolWeight> (36)
526.67242

>  <Cat> (36)
S7804

>  <Name> (36)
GSK503

>  <Synonyms> (36)
N/A

>  <Target> (36)
EZH1/2,Histone Methyltransferase

>  <Form> (36)
free base

>  <CAS> (36)
1346572-63-1

>  <URL> (36)
http://selleckchem.com/products/gsk503.html

$$$$
CPI-360.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (37)
2259

>  <Formula> (37)
C25H31N3O4

>  <MolWeight> (37)
437.53134

>  <Cat> (37)
S7656

>  <Name> (37)
CPI-360

>  <Synonyms> (37)
N/A

>  <Target> (37)
EZH1/2,Histone Methyltransferase

>  <Form> (37)
free base

>  <CAS> (37)
1802175-06-9

>  <URL> (37)
http://selleckchem.com/products/cpi-360.html

$$$$

csChFnd80/02272615422D

  1  0  0  0  0  0  0  0  0  0999 V2000
   15.0250  -12.2750    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No structure
M  END
>  <Mol_ID> (38)
2288

>  <Formula> (38)
R

>  <Cat> (38)
S5104

>  <Name> (38)
Tea polyphenol

>  <Synonyms> (38)
N/A

>  <Target> (38)
Others

>  <CAS> (38)
84650-60-2

>  <URL> (38)
http://selleckchem.com/products/tea-polyphenol.html

$$$$
OAC1.cdx
csChFnd80/02272615422D

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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (39)
2324

>  <Formula> (39)
C14H11N3O

>  <MolWeight> (39)
237.25664

>  <Cat> (39)
S7217

>  <Name> (39)
OAC1

>  <Synonyms> (39)
BAS 00287861

>  <Target> (39)
OCT

>  <Form> (39)
free base

>  <CAS> (39)
300586-90-7

>  <URL> (39)
http://selleckchem.com/products/oac1.html

$$$$
SGC 0946.cdx
csChFnd80/02272615422D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0704    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    4.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    4.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    6.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3797    4.2666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5994    2.8791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9869    2.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6246    3.9110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6313    4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0074    4.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6095    1.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6224    1.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0007    3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2524    3.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0325    5.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6451    5.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9273    1.7338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1054    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3570    1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4306    3.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6779    3.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224    6.1518    0.0000 Br  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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 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
 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
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 22  1  1  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
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (40)
2331

>  <Formula> (40)
C28H40BrN7O4

>  <MolWeight> (40)
618.5657

>  <Cat> (40)
S7079

>  <Name> (40)
SGC 0946

>  <Synonyms> (40)
N/A

>  <Target> (40)
DOT1,Histone Methyltransferase

>  <Form> (40)
free base

>  <CAS> (40)
1561178-17-3

>  <URL> (40)
http://selleckchem.com/products/sgc-0946.html

$$$$
SGI-1027.cdx
csChFnd80/02272615422D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  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  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 32 34  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
>  <Mol_ID> (41)
2335

>  <Formula> (41)
C27H23N7O

>  <MolWeight> (41)
461.51782

>  <Cat> (41)
S7276

>  <Name> (41)
SGI-1027

>  <Synonyms> (41)
DNA Methyltransferase Inhibitor II

>  <Target> (41)
Apoptosis related,DNA Methyltransferase

>  <Form> (41)
free base

>  <CAS> (41)
1020149-73-8

>  <URL> (41)
http://selleckchem.com/products/sgi-1027.html

$$$$
UNC1999.cdx
csChFnd80/02272615422D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2579    4.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (42)
2396

>  <Formula> (42)
C33H43N7O2

>  <MolWeight> (42)
569.74022

>  <Cat> (42)
S7165

>  <Name> (42)
UNC1999

>  <Synonyms> (42)
N/A

>  <Target> (42)
Apoptosis related,Autophagy,EZH1/2,Histone Methyltransferase

>  <Form> (42)
free base

>  <CAS> (42)
1431612-23-5

>  <URL> (42)
http://selleckchem.com/products/unc1999.html

$$$$
JIB04 (NSC693627).cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (43)
2398

>  <Formula> (43)
C17H13ClN4

>  <MolWeight> (43)
308.76492

>  <Cat> (43)
S7281

>  <Name> (43)
JIB-04

>  <Synonyms> (43)
NSC 693627

>  <Target> (43)
Apoptosis related,Histone Demethylase,JMJD

>  <Form> (43)
free base

>  <CAS> (43)
199596-05-9

>  <URL> (43)
http://selleckchem.com/products/jib-04.html

$$$$
MM-102.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (44)
2403

>  <Formula> (44)
C35H49F2N7O4

>  <MolWeight> (44)
669.8048664

>  <Cat> (44)
S7265

>  <Name> (44)
MM-102

>  <Synonyms> (44)
HMTase Inhibitor IX

>  <Target> (44)
Histone Methyltransferase,MLL

>  <Form> (44)
free base

>  <CAS> (44)
1417329-24-8

>  <URL> (44)
http://selleckchem.com/products/mm-102.html

$$$$
OTX015.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (45)
2451

>  <Formula> (45)
C25H22ClN5O2S

>  <MolWeight> (45)
491.99248

>  <Cat> (45)
S7360

>  <Name> (45)
Birabresib (OTX015)

>  <Synonyms> (45)
MK 8628

>  <Target> (45)
Epigenetic Reader Domain,NSD

>  <Form> (45)
free base

>  <CAS> (45)
202590-98-5

>  <URL> (45)
http://selleckchem.com/products/otx015.html

$$$$
OG-L002.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (46)
2470

>  <Formula> (46)
C15H15NO

>  <MolWeight> (46)
225.2857

>  <Cat> (46)
S7237

>  <Name> (46)
OG-L002

>  <Synonyms> (46)
N/A

>  <Target> (46)
Histone Demethylase,LSD1

>  <Form> (46)
free base

>  <CAS> (46)
1357302-64-7

>  <URL> (46)
http://selleckchem.com/products/og-l002.html

$$$$
IOX1.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (47)
2489

>  <Formula> (47)
C10H7NO3

>  <MolWeight> (47)
189.16748

>  <Cat> (47)
S7234

>  <Name> (47)
IOX1

>  <Synonyms> (47)
N/A

>  <Target> (47)
Histone Demethylase,JMJD

>  <Form> (47)
free base

>  <CAS> (47)
5852-78-8

>  <URL> (47)
http://selleckchem.com/products/iox1.html

$$$$
PFI-2.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (48)
2567

>  <Formula> (48)
C23H25F4N3O3S

>  <MolWeight> (48)
499.5215128

>  <Cat> (48)
S7294

>  <Name> (48)
PFI-2 HCl

>  <Synonyms> (48)
N/A

>  <Target> (48)
Histone Methyltransferase,SETD

>  <Form> (48)
Hydrochloride

>  <CAS> (48)
1627607-87-7

>  <URL> (48)
http://selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/02272615422D

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 18 24  1  0  0  0  0
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M  END
>  <Mol_ID> (49)
2568

>  <Formula> (49)
C18H25N5S2

>  <MolWeight> (49)
375.5546

>  <Cat> (49)
S7619

>  <Name> (49)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (49)
N/A

>  <Target> (49)
Histone Methyltransferase,MLL

>  <Form> (49)
free base

>  <CAS> (49)
1271738-59-0

>  <URL> (49)
http://selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (50)
2587

>  <Formula> (50)
C18H25N5S2

>  <MolWeight> (50)
375.5546

>  <Cat> (50)
S7618

>  <Name> (50)
MI-2 (Menin-MLL Inhibitor)

>  <Synonyms> (50)
N/A

>  <Target> (50)
Histone Methyltransferase,MLL

>  <Form> (50)
free base

>  <CAS> (50)
1271738-62-5

>  <URL> (50)
http://selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
SP2509.cdx
csChFnd80/02272615422D

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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 20 27  2  0  0  0  0
 20 28  2  0  0  0  0
 13 29  2  0  0  0  0
M  END
>  <Mol_ID> (51)
2594

>  <Formula> (51)
C19H20ClN3O5S

>  <MolWeight> (51)
437.8972

>  <Cat> (51)
S7680

>  <Name> (51)
SP2509

>  <Synonyms> (51)
HCI-2509

>  <Target> (51)
Apoptosis related,Autophagy,Histone Demethylase,LSD1

>  <Form> (51)
free base

>  <CAS> (51)
1423715-09-6

>  <URL> (51)
http://selleckchem.com/products/sp2509.html

$$$$
EI1.cdx
csChFnd80/02272615422D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4165    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    6.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    3.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    4.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.2863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.2863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    7.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    8.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    9.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660   10.3863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    9.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.3839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867   10.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  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
  7 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
 12 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  3  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  2  0  0  0  0
 24 28  1  0  0  0  0
 22 29  1  0  0  0  0
M  END
>  <Mol_ID> (52)
2597

>  <Formula> (52)
C23H26N4O2

>  <MolWeight> (52)
390.47814

>  <Cat> (52)
S7611

>  <Name> (52)
EI1

>  <Synonyms> (52)
N/A

>  <Target> (52)
EZH1/2,Histone Methyltransferase

>  <Form> (52)
free base

>  <CAS> (52)
1418308-27-6

>  <URL> (52)
http://selleckchem.com/products/ei1.html

$$$$
BRD4770.cdx
csChFnd80/02272615422D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8263    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    5.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9345    6.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3039    6.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7365    7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7997    8.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  8 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
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 17 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 17  1  0  0  0  0
M  END
>  <Mol_ID> (53)
2599

>  <Formula> (53)
C25H23N3O3

>  <MolWeight> (53)
413.46842

>  <Cat> (53)
S7591

>  <Name> (53)
BRD4770

>  <Synonyms> (53)
N/A

>  <Target> (53)
G9a/GLP,Histone Methyltransferase

>  <Form> (53)
free base

>  <CAS> (53)
1374601-40-7

>  <URL> (53)
http://selleckchem.com/products/brd4770.html

$$$$
ML234.cdx
csChFnd80/02272615422D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    6.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (54)
2617

>  <Formula> (54)
C21H23N3O2

>  <MolWeight> (54)
349.42622

>  <Cat> (54)
S7296

>  <Name> (54)
ML324

>  <Synonyms> (54)
N/A

>  <Target> (54)
CMV,Histone Demethylase,JMJD

>  <Form> (54)
free base

>  <CAS> (54)
1222800-79-4

>  <URL> (54)
http://selleckchem.com/products/ml324.html

$$$$
FTI 277 HCl.cdx
csChFnd80/02272615422D

 31 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    1.2728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  2  0  0  0  0
  2 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  1  1  0  0  0
 23 25  1  0  0  0  0
 15 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
>  <Mol_ID> (55)
2625

>  <Formula> (55)
C22H30ClN3O3S2

>  <MolWeight> (55)
484.0749

>  <Cat> (55)
S7465

>  <Name> (55)
FTI 277 HCl

>  <Synonyms> (55)
N/A

>  <Target> (55)
Anti-infection,Apoptosis related,FTase,Transferase

>  <Form> (55)
hydrochloride salt

>  <CAS> (55)
180977-34-8

>  <URL> (55)
http://selleckchem.com/products/fti-277-hcl.html

$$$$
Salirasib.cdx
csChFnd80/02272615422D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 10 22  1  0  0  0  0
 14 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (56)
2629

>  <Formula> (56)
C22H30O2S

>  <MolWeight> (56)
358.5374

>  <Cat> (56)
S7684

>  <Name> (56)
Salirasib

>  <Synonyms> (56)
Farnesylthiosalicylic acid, FTS

>  <Target> (56)
Autophagy,PPMTase,Ras

>  <Form> (56)
free base

>  <CAS> (56)
162520-00-5

>  <URL> (56)
http://selleckchem.com/products/salirasib.html

$$$$
UNC0379.cdx
csChFnd80/02272615422D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4831    4.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8525    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6158    6.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 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 15  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 22  1  0  0  0  0
M  END
>  <Mol_ID> (57)
2643

>  <Formula> (57)
C23H35N5O2

>  <MolWeight> (57)
413.5563

>  <Cat> (57)
S7570

>  <Name> (57)
UNC0379

>  <Synonyms> (57)
N/A

>  <Target> (57)
Histone Methyltransferase,SETD

>  <Form> (57)
free base

>  <CAS> (57)
1620401-82-2

>  <URL> (57)
http://selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/02272615422D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9497    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   23.9475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.9475    0.0000 Cl  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  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (58)
2645

>  <Formula> (58)
C14H22Cl2N2

>  <MolWeight> (58)
289.24388

>  <Cat> (58)
S7574

>  <Name> (58)
GSK-LSD1 2HCl

>  <Synonyms> (58)
N/A

>  <Target> (58)
Histone Demethylase,LSD1

>  <Form> (58)
dihydrochloride

>  <CAS> (58)
2102933-95-7

>  <URL> (58)
http://selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
EPZ015666.cdx
csChFnd80/02272615422D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  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
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  9 14  2  0  0  0  0
 12 15  1  1  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  2  0  0  0  0
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 21 16  1  0  0  0  0
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 22 23  2  0  0  0  0
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 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (59)
2650

>  <Formula> (59)
C20H25N5O3

>  <MolWeight> (59)
383.4442

>  <Cat> (59)
S7748

>  <Name> (59)
EPZ015666 (GSK3235025)

>  <Synonyms> (59)
GSK3235025

>  <Target> (59)
Histone Methyltransferase,PRMT

>  <Form> (59)
free base

>  <CAS> (59)
1616391-65-1

>  <URL> (59)
http://selleckchem.com/products/epz015666.html

$$$$
GSK J1.cdx
csChFnd80/02272615422D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.3142    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1556    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  5 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
  1 19  1  0  0  0  0
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 25 19  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
M  END
>  <Mol_ID> (60)
2691

>  <Formula> (60)
C22H23N5O2

>  <MolWeight> (60)
389.45032

>  <Cat> (60)
S7581

>  <Name> (60)
GSK J1

>  <Synonyms> (60)
N/A

>  <Target> (60)
Histone Demethylase,JMJD

>  <Form> (60)
free base

>  <CAS> (60)
1373422-53-7

>  <URL> (60)
http://selleckchem.com/products/gsk-j1.html

$$$$
ORY-1001.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (61)
2722

>  <Formula> (61)
C15H24Cl2N2

>  <MolWeight> (61)
303.27046

>  <Cat> (61)
S7795

>  <Name> (61)
Iadademstat (ORY-1001) 2HCl

>  <Synonyms> (61)
RG-6016

>  <Target> (61)
Histone Demethylase,LSD1

>  <Form> (61)
dihydrochloride

>  <CAS> (61)
1431326-61-2

>  <URL> (61)
http://selleckchem.com/products/ory-1001-rg-6016.html

$$$$
SGC707.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (62)
2742

>  <Formula> (62)
C16H18N4O2

>  <MolWeight> (62)
298.33972

>  <Cat> (62)
S7832

>  <Name> (62)
SGC707

>  <Synonyms> (62)
N/A

>  <Target> (62)
Histone Methyltransferase,PRMT

>  <Form> (62)
free base

>  <CAS> (62)
1687736-54-4

>  <URL> (62)
http://selleckchem.com/products/sgc707.html

$$$$
GSK2879552.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (63)
2744

>  <Formula> (63)
C23H30Cl2N2O2

>  <MolWeight> (63)
437.4025

>  <Cat> (63)
S7796

>  <Name> (63)
GSK2879552 2HCl

>  <Synonyms> (63)
N/A

>  <Target> (63)
Histone Demethylase,LSD1

>  <Form> (63)
dihydrochloride

>  <CAS> (63)
1902123-72-1

>  <URL> (63)
http://selleckchem.com/products/gsk2879552-2hcl.html

$$$$
MI-136.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (64)
2772

>  <Formula> (64)
C23H21F3N6S

>  <MolWeight> (64)
470.5132496

>  <Cat> (64)
S7815

>  <Name> (64)
MI-136

>  <Synonyms> (64)
N/A

>  <Target> (64)
Histone Methyltransferase,MLL

>  <Form> (64)
free base

>  <CAS> (64)
1628316-74-4

>  <URL> (64)
http://selleckchem.com/products/mi-136.html

$$$$
A-366.cdx
csChFnd80/02272615422D

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>  <Mol_ID> (65)
2773

>  <Formula> (65)
C19H27N3O2

>  <MolWeight> (65)
329.43658

>  <Cat> (65)
S7572

>  <Name> (65)
A-366

>  <Synonyms> (65)
N/A

>  <Target> (65)
G9a/GLP,Histone Methyltransferase

>  <Form> (65)
free base

>  <CAS> (65)
1527503-11-2

>  <URL> (65)
http://selleckchem.com/products/a-366.html

$$$$
PRIMA-1.cdx
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M  END
>  <Mol_ID> (66)
2792

>  <Formula> (66)
C9H15NO3

>  <MolWeight> (66)
185.2203

>  <Cat> (66)
S7723

>  <Name> (66)
PRIMA-1

>  <Synonyms> (66)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (66)
p53

>  <Form> (66)
free base

>  <CAS> (66)
5608-24-2

>  <URL> (66)
http://selleckchem.com/products/prima-1.html

$$$$
LLY507.cdx
csChFnd80/02272615422D

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>  <Mol_ID> (67)
2801

>  <Formula> (67)
C36H42N6O

>  <MolWeight> (67)
574.75828

>  <Cat> (67)
S7575

>  <Name> (67)
LLY-507

>  <Synonyms> (67)
N/A

>  <Target> (67)
Histone Methyltransferase,SMYD

>  <Form> (67)
free base

>  <CAS> (67)
1793053-37-8

>  <URL> (67)
http://selleckchem.com/products/lly-507.html

$$$$
OICR-9429.cdx
csChFnd80/02272615422D

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>  <Mol_ID> (68)
2806

>  <Formula> (68)
C29H32F3N5O3

>  <MolWeight> (68)
555.5912896

>  <Cat> (68)
S7833

>  <Name> (68)
OICR-9429

>  <Synonyms> (68)
N/A

>  <Target> (68)
Histone Methyltransferase,WDR5

>  <Form> (68)
free base

>  <CAS> (68)
1801787-56-3

>  <URL> (68)
http://selleckchem.com/products/oicr-9429.html

$$$$
EPZ020411.cdx
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M  END
>  <Mol_ID> (69)
2820

>  <Formula> (69)
C25H40Cl2N4O3

>  <MolWeight> (69)
515.5161

>  <Cat> (69)
S7820

>  <Name> (69)
EPZ020411 2HCl

>  <Synonyms> (69)
N/A

>  <Target> (69)
Histone Methyltransferase,PRMT

>  <Form> (69)
dihydrochloride

>  <CAS> (69)
2070015-25-5

>  <URL> (69)
http://selleckchem.com/products/epz020411.html

$$$$
MI-463.cdx
csChFnd80/02272615422D

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 16 11  1  0  0  0  0
  8 17  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
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 28 34  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (70)
2825

>  <Formula> (70)
C24H23F3N6S

>  <MolWeight> (70)
484.5398296

>  <Cat> (70)
S7816

>  <Name> (70)
MI-463

>  <Synonyms> (70)
N/A

>  <Target> (70)
Histone Methyltransferase,MLL

>  <Form> (70)
free base

>  <CAS> (70)
1628317-18-9

>  <URL> (70)
http://selleckchem.com/products/mi-463.html

$$$$
A-196.cdx
csChFnd80/02272615422D

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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 10 13  1  0  0  0  0
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 18 14  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (71)
2839

>  <Formula> (71)
C18H16Cl2N4

>  <MolWeight> (71)
359.25244

>  <Cat> (71)
S7983

>  <Name> (71)
A-196

>  <Synonyms> (71)
N/A

>  <Target> (71)
Histone Methyltransferase,SETD

>  <Form> (71)
free base

>  <CAS> (71)
1982372-88-2

>  <URL> (71)
http://selleckchem.com/products/a-196.html

$$$$
S5109 Ademetionine.cdx
csChFnd80/02272615422D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   10.1900    1.7860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.0937    2.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (72)
2871

>  <Formula> (72)
C15H22N6O5S

>  <MolWeight> (72)
398.43738

>  <Cat> (72)
S5109

>  <Name> (72)
Ademetionine

>  <Synonyms> (72)
AdoMet, S-Adenosylmethionine, SAMe

>  <Target> (72)
Others

>  <Form> (72)
free base

>  <CAS> (72)
29908-03-0

>  <URL> (72)
http://selleckchem.com/products/ademetionine.html

$$$$
UNC0642.cdx
csChFnd80/02272615422D

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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  2 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
M  END
>  <Mol_ID> (73)
2891

>  <Formula> (73)
C29H44F2N6O2

>  <MolWeight> (73)
546.6954664

>  <Cat> (73)
S7230

>  <Name> (73)
UNC0642

>  <Synonyms> (73)
N/A

>  <Target> (73)
G9a/GLP,Histone Methyltransferase

>  <Form> (73)
free base

>  <CAS> (73)
1481677-78-4

>  <URL> (73)
http://selleckchem.com/products/unc0642.html

$$$$
S4889 Perospirone hydrochloride.cdx
csChFnd80/02272615422D

 33 36  0  0  0  0  0  0  0  0999 V2000
   14.3852    2.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000    3.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9853    2.2554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2165    1.1295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5399    2.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8985    4.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2859    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2844    3.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5399    1.5717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.5679    3.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9318    5.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8844    3.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2665    5.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1924    2.2466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7971    2.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6906    3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9960    4.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5841    4.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7644    5.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7718    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    5.3410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2011    7.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    3.9411    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2097    2.1774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    6.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    3.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027    5.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5791    6.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731    2.5545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4654    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
 29 30  1  0  0  0  0
 23 31  1  6  0  0  0
 25 32  1  6  0  0  0
M  END
>  <Mol_ID> (74)
2974

>  <Formula> (74)
C23H31ClN4O2S

>  <MolWeight> (74)
463.03584

>  <Cat> (74)
S4889

>  <Name> (74)
Perospirone hydrochloride

>  <Synonyms> (74)
SM-9018 hydrochloride

>  <Target> (74)
5-HT Receptor,Dopamine Receptor

>  <Form> (74)
hydrochloride

>  <CAS> (74)
129273-38-7

>  <URL> (74)
http://selleckchem.com/products/perospirone-hydrochloride.html

$$$$
S5420 Clindamycin alcoholate.cdx
csChFnd80/02272615422D

 30 29  0  0  0  0  0  0  0  0999 V2000
    8.9564    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9503    5.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1738    7.1276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3791    5.0258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3794    6.4225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7451    7.1312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3155    7.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336    6.4295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1617    4.3277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8331    6.9856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8799    5.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155    8.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519    5.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7451    8.5279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1589    2.9221    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    4.7546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5880    4.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1742    8.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6026    7.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485    8.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5338    9.2296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    3.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3670    2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9565    9.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758    3.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694    1.7434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9564    7.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  6  1  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3 19  1  6  0  0  0
  4  5  1  0  0  0  0
  4 18  1  1  0  0  0
  9  4  1  0  0  0  0
  5 20  1  6  0  0  0
  6  8  1  6  0  0  0
 15  6  1  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  6  0  0  0
 13  7  2  0  0  0  0
  9 16  1  1  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 21 10  1  0  0  0  0
 14 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 15 22  1  1  0  0  0
 25 15  1  0  0  0  0
 24 16  1  0  0  0  0
 17 23  1  1  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
  1 29  1  1  0  0  0
M  END
>  <Mol_ID> (75)
3041

>  <Formula> (75)
C18H36Cl2N2O6S

>  <MolWeight> (75)
479.45924

>  <Cat> (75)
S5420

>  <Name> (75)
Clindamycin alcoholate

>  <Synonyms> (75)
N/A

>  <Target> (75)
Antibiotics,Bacterial

>  <Form> (75)
hydrochloride, monohydrate

>  <CAS> (75)
58207-19-5

>  <URL> (75)
http://selleckchem.com/products/clindamycin-alcoholate.html

$$$$
S5266 Stiripentol.cdx
csChFnd80/02272615422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.1260    2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1260    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    2.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    0.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    2.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5126    0.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    2.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9310    2.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1454    2.8382    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3569    2.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1454    4.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5693    1.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6572    0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0572    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  2  0  0  0  0
  1  4  1  0  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  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  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
M  END
>  <Mol_ID> (76)
3090

>  <Formula> (76)
C14H18O3

>  <MolWeight> (76)
234.29092

>  <Cat> (76)
S5266

>  <Name> (76)
Stiripentol

>  <Synonyms> (76)
BCX2600

>  <Target> (76)
P450 (e.g. CYP17)

>  <Form> (76)
Dioxolane

>  <CAS> (76)
49763-96-4

>  <URL> (76)
http://selleckchem.com/products/stiripentol.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/02272615422D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8451    1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    4.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    3.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    5.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    1.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    3.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    1.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3353    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    3.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    4.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7604    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    4.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9730    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9729    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    5.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1854    1.2169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3978    0.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4850    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8850    2.4286    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
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (77)
3130

>  <Formula> (77)
C21H16N2O9S2

>  <MolWeight> (77)
504.48974

>  <Cat> (77)
S5445

>  <Name> (77)
AMI-1 (free acid)

>  <Synonyms> (77)
N/A

>  <Target> (77)
Histone Methyltransferase,PRMT

>  <Form> (77)
free base

>  <CAS> (77)
134-47-4

>  <URL> (77)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$

csChFnd80/02272615422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.1775    2.9624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3899    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (78)
3291

>  <Formula> (78)
C10H15N3O4

>  <MolWeight> (78)
241.2438

>  <Cat> (78)
S5907

>  <Name> (78)
5-Methyl-2'-deoxycytidine

>  <Synonyms> (78)
5-Methyldeoxycytidine, 5MedCyd

>  <Target> (78)
Others

>  <Form> (78)
Free Base

>  <CAS> (78)
838-07-3

>  <URL> (78)
http://www.selleckchem.com/products/5-methyl-2-deoxycytidine.html

$$$$
S5704 Myclobutanil.cdx
csChFnd80/02272615422D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (79)
3385

>  <Formula> (79)
C15H17ClN4

>  <MolWeight> (79)
288.77528

>  <Cat> (79)
S5704

>  <Name> (79)
Myclobutanil

>  <Target> (79)
Fungal

>  <Form> (79)
free base

>  <CAS> (79)
88671-89-0

>  <URL> (79)
https://www.selleckchem.com/products/myclobutanil.html

$$$$
S5217 Arformoterol Tartrate.cdx
csChFnd80/02272615422D

 36 36  0  0  0  0  0  0  0  0999 V2000
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   10.8934    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1058    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  2  0  0  0  0
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 12  3  1  0  0  0  0
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 16  4  1  0  0  0  0
 10  4  1  0  0  0  0
  5  6  1  0  0  0  0
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 22  7  1  0  0  0  0
  7 11  1  0  0  0  0
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 13 15  1  0  0  0  0
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 14 20  1  0  0  0  0
 23 14  1  0  0  0  0
 19 14  2  0  0  0  0
 15 22  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 22 25  1  6  0  0  0
 24 23  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
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 28 34  2  0  0  0  0
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 29 30  1  6  0  0  0
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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
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M  END
>  <Mol_ID> (80)
3405

>  <Formula> (80)
C23H30N2O10

>  <MolWeight> (80)
494.4917

>  <Cat> (80)
S5217

>  <Name> (80)
Arformoterol Tartrate

>  <Synonyms> (80)
(R, R)-Formoterol

>  <Target> (80)
Adrenergic Receptor

>  <Form> (80)
Tartrate

>  <CAS> (80)
200815-49-2

>  <URL> (80)
https://www.selleckchem.com/products/arformoterol-tartrate.html

$$$$

csChFnd80/02272615422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 12 21  2  0  0  0  0
 16 21  1  0  0  0  0
 13 22  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (81)
3533

>  <Formula> (81)
C17H13N3O2

>  <MolWeight> (81)
291.30402

>  <Cat> (81)
S5772

>  <Name> (81)
AS-8351

>  <Synonyms> (81)
N/A

>  <Target> (81)
Histone Demethylase

>  <Form> (81)
Free Base

>  <CAS> (81)
796-42-9

>  <URL> (81)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/02272615422D

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.1295    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (82)
3616

>  <Formula> (82)
C5H11N

>  <MolWeight> (82)
85.14754

>  <Cat> (82)
S6216

>  <Name> (82)
1-Methylpyrrolidine

>  <Synonyms> (82)
N/A

>  <Target> (82)
Others

>  <Form> (82)
free base

>  <CAS> (82)
120-94-5

>  <URL> (82)
http://www.selleck.cn/products/1-methylpyrrolidine.html

$$$$

csChFnd80/02272615422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    0.5721    2.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0292    2.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233    5.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  6  0  0  0
  7  9  1  0  0  0  0
  9 14  1  1  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (83)
3720

>  <Formula> (83)
C10H14N2O6

>  <MolWeight> (83)
258.22796

>  <Cat> (83)
S6156

>  <Name> (83)
5-Methyluridine

>  <Synonyms> (83)
Ribothymidine, Ribosylthymine, Thymine riboside

>  <Target> (83)
Others

>  <Form> (83)
free base

>  <CAS> (83)
1463-10-1

>  <URL> (83)
http://www.selleck.cn/products/5-methyluridine.html

$$$$

csChFnd80/02272615422D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   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
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
  3  9  1  0  0  0  0
 11 12  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (84)
3768

>  <Formula> (84)
C9H12O3

>  <MolWeight> (84)
168.18978

>  <Cat> (84)
S6294

>  <Name> (84)
1,3,5-Trimethoxybenzene

>  <Synonyms> (84)
Phloroglucinol trimethyl ether, Sym-trimethoxybenzene, Trimethylphloroglucinol

>  <Target> (84)
Others

>  <Form> (84)
free base

>  <CAS> (84)
621-23-8

>  <URL> (84)
http://www.selleck.cn/products/1-3-5-trimethoxybenzene.html

$$$$

csChFnd80/02272615422D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8860    2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    1.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6557    4.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    2.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    0.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6557    5.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2429    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    4.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  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
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  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  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
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (85)
3817

>  <Formula> (85)
C15H8O6

>  <MolWeight> (85)
284.22042

>  <Cat> (85)
S2400

>  <Name> (85)
Rheic Acid

>  <Synonyms> (85)
Rhein, Monorhein, NSC 38629, Rheinic Acid

>  <Target> (85)
FTO,Immunology & Inflammation related

>  <Form> (85)
Free Base

>  <CAS> (85)
478-43-3

>  <URL> (85)
http://www.selleck.cn/products/Rhein-Monorhein.html

$$$$

csChFnd80/02272615422D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4243    2.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    1.4079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8630    3.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0743    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    3.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4976    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  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  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (86)
3911

>  <Formula> (86)
C9H10O4

>  <MolWeight> (86)
182.1733

>  <Cat> (86)
S6479

>  <Name> (86)
Isohomovanillic acid

>  <Synonyms> (86)
N/A

>  <Target> (86)
Others

>  <Form> (86)
Free Base

>  <CAS> (86)
1131-94-8

>  <URL> (86)
http://www.selleck.cn/products/isohomovanillic-acid.html

$$$$
192441-08-0.cdx
csChFnd80/02272615422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    4.6337    2.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4223    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2051    0.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2051    2.5265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0596    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9825    1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9617    4.7564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6906    2.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4254    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965    1.2589    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
  2  6  1  0  0  0  0
  5  2  2  0  0  0  0
  4  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  5  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 10  7  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 13  9  1  0  0  0  0
 11 12  1  0  0  0  0
 14 11  1  0  0  0  0
 12 17  1  0  0  0  0
 18 13  1  0  0  0  0
 14 13  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (87)
4054

>  <Formula> (87)
C10H8BrN5OS

>  <MolWeight> (87)
326.17242

>  <Cat> (87)
S8056

>  <Name> (87)
Lomeguatrib

>  <Synonyms> (87)
PaTrin-2

>  <Target> (87)
DNA alkylator

>  <Form> (87)
free base

>  <CAS> (87)
192441-08-0

>  <URL> (87)
http://selleckchem.com/products/lomeguatrib.html

$$$$
MS023.cdx
csChFnd80/02272615422D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8960    2.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5915    2.8256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805    3.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0249    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314    3.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9204    4.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1967    3.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9006    4.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    5.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0931    4.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    3.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    7.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  7  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
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  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  1  0  0  0  0
M  END
>  <Mol_ID> (88)
4090

>  <Formula> (88)
C17H25N3O

>  <MolWeight> (88)
287.3999

>  <Cat> (88)
S8112

>  <Name> (88)
MS023

>  <Synonyms> (88)
N/A

>  <Target> (88)
Histone Methyltransferase,PRMT

>  <Form> (88)
free base

>  <CAS> (88)
1831110-54-3

>  <URL> (88)
http://selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/02272615422D

 48 57  0  0  0  0  0  0  0  0999 V2000
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 12 20  2  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  1  0  0  0
 14 23  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 18 26  1  0  0  0  0
 19 27  2  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  2  0  0  0  0
 24 32  1  0  0  0  0
 24 33  2  0  0  0  0
 25 34  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  1  0  0  0
 28 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  1  0  0  0
 32 37  1  0  0  0  0
 36 40  1  0  0  0  0
  7 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 16  1  0  0  0  0
 26 45  1  0  0  0  0
 45 46  1  0  0  0  0
 21 47  2  0  0  0  0
 18 48  2  0  0  0  0
M  END
>  <Mol_ID> (89)
4091

>  <Formula> (89)
C30H28N6O6S4

>  <MolWeight> (89)
696.83992

>  <Cat> (89)
S8068

>  <Name> (89)
Chaetocin

>  <Synonyms> (89)
N/A

>  <Target> (89)
Anti-infection,G9a/GLP,Histone Methyltransferase,Thioredoxin Reductase

>  <Form> (89)
free base

>  <CAS> (89)
28097-03-2

>  <URL> (89)
http://selleckchem.com/products/chaetocin.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/02272615422D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4763    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  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
 13 14  1  0  0  0  0
 13 15  1  1  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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (90)
4101

>  <Formula> (90)
C22H28N4O2

>  <MolWeight> (90)
380.48332

>  <Cat> (90)
S8111

>  <Name> (90)
GSK591

>  <Synonyms> (90)
EPZ015866, GSK3203591

>  <Target> (90)
Histone Methyltransferase,PRMT

>  <Form> (90)
free base

>  <CAS> (90)
1616391-87-7

>  <URL> (90)
http://selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
HLCL-61.cdx
csChFnd80/02272615422D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1575    4.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260    7.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    6.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670    5.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    4.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6838    7.2364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    6.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9387    4.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0289    6.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    5.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9963    3.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6483    3.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6963    2.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0896    2.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7979    1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1764    1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8858    2.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2822    2.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9762    1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2703    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8740    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1858    3.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8883    4.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9640    8.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161    9.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4067    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  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
 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
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 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (91)
4106

>  <Formula> (91)
C23H25ClN2O

>  <MolWeight> (91)
380.9104

>  <Cat> (91)
S8209

>  <Name> (91)
HLCL-61 HCL

>  <Synonyms> (91)
HLCL61

>  <Target> (91)
Histone Methyltransferase,PRMT

>  <Form> (91)
hydrochloride

>  <CAS> (91)
1158279-20-9

>  <URL> (91)
http://selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/02272615422D

 33 35  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9744    0.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4475    0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 F   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
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  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  2  0  0  0  0
 13  7  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 12 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
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 21 29  1  0  0  0  0
 21 30  1  0  0  0  0
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  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
M  END
>  <Mol_ID> (92)
4113

>  <Formula> (92)
C19H17F6N7O

>  <MolWeight> (92)
473.3749992

>  <Cat> (92)
S8205

>  <Name> (92)
Enasidenib (AG-221)

>  <Synonyms> (92)
N/A

>  <Target> (92)
Dehydrogenase

>  <Form> (92)
free base

>  <CAS> (92)
1446502-11-9

>  <URL> (92)
http://selleckchem.com/products/ag-221-enasidenib.html

$$$$

csChFnd80/02272615422D

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.6781    3.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0492    2.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
  4  7  2  0  0  0  0
  5 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  6 11  1  0  0  0  0
  1 13  2  0  0  0  0
 14 15  3  0  0  0  0
 13 14  1  0  0  0  0
  3 16  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (93)
4116

>  <Formula> (93)
C11H7N5O

>  <MolWeight> (93)
225.20618

>  <Cat> (93)
S1059

>  <Name> (93)
KDM4D-IN-1

>  <Synonyms> (93)
N/A

>  <Target> (93)
Histone Demethylase

>  <Form> (93)
Free Base

>  <CAS> (93)
2098902-68-0

>  <URL> (93)
http://www.selleck.cn/products/kdm4d-in1.html

$$$$
CPI-1205.cdx
csChFnd80/02272615422D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (94)
4178

>  <Formula> (94)
C27H33F3N4O3

>  <MolWeight> (94)
518.5711296

>  <Cat> (94)
S8353

>  <Name> (94)
Lirametostat (CPI-1205)

>  <Synonyms> (94)
CPI 1205, CPI1205

>  <Target> (94)
EZH1/2,Histone Methyltransferase

>  <Form> (94)
free base

>  <CAS> (94)
1621862-70-1

>  <URL> (94)
http://selleckchem.com/products/cpi-1205.html

$$$$
CPI-455.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (95)
4190

>  <Formula> (95)
C16H15ClN4O

>  <MolWeight> (95)
314.7695

>  <Cat> (95)
S8287

>  <Name> (95)
CPI-455 HCl

>  <Synonyms> (95)
N/A

>  <Target> (95)
Histone Demethylase,JMJD

>  <Form> (95)
hydrochloride

>  <CAS> (95)
2095432-28-1

>  <URL> (95)
https://www.selleckchem.com/products/cpi-455-hcl.html

$$$$
UNC3866.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (96)
4195

>  <Formula> (96)
C43H66N6O8

>  <MolWeight> (96)
795.01954

>  <Cat> (96)
S8359

>  <Name> (96)
UNC3866

>  <Synonyms> (96)
N/A

>  <Target> (96)
Histone Methyltransferase

>  <Form> (96)
free base

>  <CAS> (96)
1872382-47-2

>  <URL> (96)
http://selleckchem.com/products/unc3866.html

$$$$
MS049.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (97)
4204

>  <Formula> (97)
C15H26Cl2N2O

>  <MolWeight> (97)
321.28574

>  <Cat> (97)
S8147

>  <Name> (97)
MS049

>  <Synonyms> (97)
N/A

>  <Target> (97)
Histone Methyltransferase,PRMT

>  <Form> (97)
dihydrochloride

>  <CAS> (97)
2095432-59-8

>  <URL> (97)
http://selleckchem.com/products/ms049.html

$$$$
UNC0638.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (98)
4209

>  <Formula> (98)
C30H47N5O2

>  <MolWeight> (98)
509.72648

>  <Cat> (98)
S8071

>  <Name> (98)
UNC0638

>  <Target> (98)
Antiviral,G9a/GLP,Histone Methyltransferase

>  <Form> (98)
free base

>  <CAS> (98)
1255580-76-7

>  <URL> (98)
http://selleckchem.com/products/unc0638.html

$$$$
EED226.cdx
csChFnd80/02272615422D

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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (99)
4253

>  <Formula> (99)
C17H15N5O3S

>  <MolWeight> (99)
369.3977

>  <Cat> (99)
S8496

>  <Name> (99)
EED226

>  <Synonyms> (99)
N/A

>  <Target> (99)
Epigenetic Reader Domain,Histone Methyltransferase

>  <Form> (99)
free base

>  <CAS> (99)
2083627-02-3

>  <URL> (99)
http://selleckchem.com/products/eed226.html

$$$$
BIX01294 3HCl.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (100)
4254

>  <Formula> (100)
C28H41Cl3N6O2

>  <MolWeight> (100)
600.02314

>  <Cat> (100)
S8006

>  <Name> (100)
BIX 01294

>  <Synonyms> (100)
N/A

>  <Target> (100)
Autophagy,G9a/GLP,Histone Methyltransferase,NSD

>  <Form> (100)
trihydrochloride

>  <CAS> (100)
1392399-03-9

>  <URL> (100)
http://selleckchem.com/products/bix-01294.html

$$$$
SGC2085.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (101)
4267

>  <Formula> (101)
C19H24N2O2

>  <MolWeight> (101)
312.40606

>  <Cat> (101)
S8340

>  <Name> (101)
SGC2085

>  <Synonyms> (101)
N/A

>  <Target> (101)
Histone Methyltransferase,PRMT

>  <Form> (101)
free base

>  <CAS> (101)
1821908-48-8

>  <URL> (101)
http://selleckchem.com/products/sgc2085.html

$$$$
PF-06726304.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (102)
4309

>  <Formula> (102)
C22H21Cl2N3O3

>  <MolWeight> (102)
446.32644

>  <Cat> (102)
S8494

>  <Name> (102)
PF-06726304

>  <Synonyms> (102)
PF-6726304

>  <Target> (102)
EZH1/2,Histone Methyltransferase

>  <Form> (102)
free base

>  <CAS> (102)
1616287-82-1

>  <URL> (102)
http://selleckchem.com/products/pf-06726304.html

$$$$
GSK3326595 (EPZ015938).cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (103)
4329

>  <Formula> (103)
C24H32N6O3

>  <MolWeight> (103)
452.54928

>  <Cat> (103)
S8664

>  <Name> (103)
Pemrametostat (GSK3326595)

>  <Synonyms> (103)
EPZ015938

>  <Target> (103)
Histone Methyltransferase,PRMT

>  <Form> (103)
free base

>  <CAS> (103)
1616392-22-3

>  <URL> (103)
http://selleckchem.com/products/gsk3326595-epz015938.html

$$$$
Adenosine Dialdehyde (ADOX).cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (104)
4330

>  <Formula> (104)
C10H11N5O4

>  <MolWeight> (104)
265.22544

>  <Cat> (104)
S8608

>  <Name> (104)
Adenosine Dialdehyde (ADOX)

>  <Synonyms> (104)
N/A

>  <Target> (104)
SAM MTase,Transferase

>  <Form> (104)
free base

>  <CAS> (104)
34240-05-6

>  <URL> (104)
http://selleckchem.com/products/adenosine-dialdehyde-adox.html

$$$$
LLY-283.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (105)
4339

>  <Formula> (105)
C17H18N4O4

>  <MolWeight> (105)
342.34922

>  <Cat> (105)
S8479

>  <Name> (105)
LLY-284

>  <Synonyms> (105)
N/A

>  <Target> (105)
PRMT

>  <Form> (105)
free base

>  <CAS> (105)
2226515-75-7

>  <URL> (105)
https://www.selleckchem.com/products/lly-284.html

$$$$
JQ-EZ-05 (JQEZ5).cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (106)
4343

>  <Formula> (106)
C30H38N8O2

>  <MolWeight> (106)
542.67512

>  <Cat> (106)
S8607

>  <Name> (106)
JQ-EZ-05 (JQEZ5)

>  <Synonyms> (106)
N/A

>  <Target> (106)
EZH1/2,Histone Methyltransferase

>  <Form> (106)
free base

>  <CAS> (106)
1913252-04-6

>  <URL> (106)
http://selleckchem.com/products/jq-ez-05-jqez5.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (107)
4488

>  <Formula> (107)
C38H46O8

>  <MolWeight> (107)
630.76704

>  <Cat> (107)
S9031

>  <Name> (107)
Gambogenic acid

>  <Target> (107)
EZH1/2,FGFR

>  <Form> (107)
free base

>  <CAS> (107)
173932-75-7

>  <URL> (107)
https://www.selleckchem.com/products/gambogenic-acid.html

$$$$
S9227 Sinensetin.cdx
csChFnd80/02272615422D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (108)
4633

>  <Formula> (108)
C20H20O7

>  <MolWeight> (108)
372.3686

>  <Cat> (108)
S9227

>  <Name> (108)
Sinensetin

>  <Synonyms> (108)
Pedalitin Permethyl ether

>  <Target> (108)
Others

>  <Form> (108)
free base

>  <CAS> (108)
2306-27-6

>  <URL> (108)
https://www.selleckchem.com/products/sinensetin.html

$$$$
S9287 Genkwanin.cdx
csChFnd80/02272615422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
4678

>  <Formula> (109)
C16H12O5

>  <MolWeight> (109)
284.26348

>  <Cat> (109)
S9287

>  <Name> (109)
Genkwanin

>  <Synonyms> (109)
Apigenin 7-methyl ether

>  <Target> (109)
Immunology & Inflammation related

>  <Form> (109)
free base

>  <CAS> (109)
437-64-9

>  <URL> (109)
https://www.selleckchem.com/products/genkwanin.html

$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/02272615422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  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  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  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
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
>  <Mol_ID> (110)
4733

>  <Formula> (110)
C18H16O5

>  <MolWeight> (110)
312.31664

>  <Cat> (110)
S9328

>  <Name> (110)
5,6,7-Trimethoxyflavone

>  <Synonyms> (110)
Baicalein Trimethyl Ether

>  <Target> (110)
Antiviral,Bacterial

>  <Form> (110)
free base

>  <CAS> (110)
973-67-1

>  <URL> (110)
https://www.selleckchem.com/products/trimethoxyflavone.html

$$$$

csChFnd80/02272615422D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.6428    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334    4.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860    3.9154    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.4334    1.3878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    1.6703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    3.4991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334    5.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8930    2.2421    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.6805    2.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7929    1.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1054    2.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9931    1.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4681    2.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2557    2.9421    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
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
 10 13  2  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
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (111)
4788

>  <Formula> (111)
C12H21N5O3

>  <MolWeight> (111)
283.32684

>  <Cat> (111)
S9472

>  <Name> (111)
Oxtriphylline

>  <Synonyms> (111)
N/A

>  <Target> (111)
PDE Inhibitor, Adenosine receptor, & Histone deacetylase

>  <Form> (111)
Free Base

>  <CAS> (111)
4499-40-5

>  <URL> (111)
N/A

$$$$

csChFnd80/02272615422D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.8531    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1028    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5277    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    6.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9277    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7735    5.6538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 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
 14  9  1  0  0  0  0
 15  4  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (112)
4855

>  <Formula> (112)
C18H23ClN4O

>  <MolWeight> (112)
346.85442

>  <Cat> (112)
S8438

>  <Name> (112)
T-3775440 HCl

>  <Synonyms> (112)
N/A

>  <Target> (112)
Histone Demethylase,LSD1

>  <Form> (112)
HCl

>  <CAS> (112)
1422535-52-1

>  <URL> (112)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/02272615422D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4807    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2683    1.2159    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6901    1.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4807    3.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    0.5159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9703    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9101    1.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6856    4.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525    1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9101    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    0.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1116    4.0269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  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
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (113)
4950

>  <Formula> (113)
C14H16N2O2S

>  <MolWeight> (113)
276.35404

>  <Cat> (113)
S6737

>  <Name> (113)
C7280948

>  <Synonyms> (113)
N/A

>  <Target> (113)
PRMT

>  <Form> (113)
Free Base

>  <CAS> (113)
587850-67-7

>  <URL> (113)
http://www.selleck.cn/products/c7280948.html

$$$$

csChFnd80/02272615422D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (114)
4991

>  <Formula> (114)
C21H25N3O4

>  <MolWeight> (114)
383.4409

>  <Cat> (114)
S2184

>  <Name> (114)
WDR5-0103

>  <Synonyms> (114)
WD-Repeat Protein 5-0103

>  <Target> (114)
Histone Methyltransferase,WDR5

>  <Form> (114)
Free Base

>  <CAS> (114)
890190-22-4

>  <URL> (114)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/02272615422D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.6225    5.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225    8.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360    4.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2020   12.2324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    1.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5648   10.1324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5648    5.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7772   10.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9896   10.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7772   12.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2020   10.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9896   12.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9328    2.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730    0.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7046    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4237    2.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4145   12.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5648    8.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182    3.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3523    8.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280    4.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7772    8.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3523    6.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1008    8.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8323    6.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7772    6.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1008    5.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8323    8.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9896    5.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2685    6.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5053    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2053    5.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280   10.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0747    2.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 26  1  0  0  0  0
  2 29  1  0  0  0  0
  2 34  1  0  0  0  0
  3 30  1  0  0  0  0
  3 32  1  0  0  0  0
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  4 18  1  0  0  0  0
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  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  7 24  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
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 19 21  1  0  0  0  0
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 20 22  1  0  0  0  0
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 24 28  2  0  0  0  0
 25 29  1  0  0  0  0
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 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (115)
5030

>  <Formula> (115)
C28H38N4O3

>  <MolWeight> (115)
478.62632

>  <Cat> (115)
S8812

>  <Name> (115)
CM272

>  <Synonyms> (115)
N/A

>  <Target> (115)
DNA Methyltransferase

>  <Form> (115)
Free Base

>  <CAS> (115)
1846570-31-7

>  <URL> (115)
http://www.selleck.cn/products/cm272-cm-272.html

$$$$

csChFnd80/02272615422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.4355    2.9559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6501    3.6522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1583    3.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2848    1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6544    5.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2183    2.4918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.3411    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
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 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (116)
5071

>  <Formula> (116)
C9H12FN3O4

>  <MolWeight> (116)
245.2076832

>  <Cat> (116)
S2477

>  <Name> (116)
2'-Deoxy-5-Fluorocytidine

>  <Synonyms> (116)
5-fluoro-2(')-deoxycytidine, FCdR

>  <Target> (116)
DNA Methyltransferase

>  <Form> (116)
Free Base

>  <CAS> (116)
10356-76-0

>  <URL> (116)
http://www.selleckchem.com/products/2-feoxy-5-fluorocytidine.html

$$$$

csChFnd80/02272615422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (117)
5106

>  <Formula> (117)
C7H8N2O2

>  <MolWeight> (117)
152.15062

>  <Cat> (117)
S6779

>  <Name> (117)
JBSNF-000088

>  <Synonyms> (117)
6-Methoxynicotinamide

>  <Target> (117)
NNMT

>  <Form> (117)
Free Base

>  <CAS> (117)
7150-23-4

>  <URL> (117)
http://www.selleckchem.com/products/jbsnf-000088.html

$$$$

csChFnd80/02272615422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.0696    2.7879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2820    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2820    0.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7069    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193    2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1317    2.0879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2755    0.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6391    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3623    1.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4457    2.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193    4.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2143    2.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    2.1010    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
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  4  5  1  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 13 22  2  0  0  0  0
 17 22  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
>  <Mol_ID> (118)
5151

>  <Formula> (118)
C17H19N3O2

>  <MolWeight> (118)
297.35166

>  <Cat> (118)
S0184

>  <Name> (118)
XY1

>  <Synonyms> (118)
N/A

>  <Target> (118)
PRMT

>  <Form> (118)
Free Base

>  <CAS> (118)
1624117-53-8

>  <URL> (118)
http://www.selleckchem.com/products/xy1.html

$$$$

csChFnd80/02272615422D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.0384    1.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6384    4.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540    3.5068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9765    4.9122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540    4.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9765    3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7634    5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1885    5.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  5 22  2  0  0  0  0
  6 25  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
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  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
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (119)
5184

>  <Formula> (119)
C20H23ClN4O4S

>  <MolWeight> (119)
450.93902

>  <Cat> (119)
S6722

>  <Name> (119)
Seclidemstat (SP-2577)

>  <Synonyms> (119)
SP-2577 mesylate

>  <Target> (119)
LSD1

>  <Form> (119)
Free Base

>  <CAS> (119)
1423715-37-0

>  <URL> (119)
http://www.selleckchem.com/products/seclidemstat.html

$$$$

csChFnd80/02272615422D

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.3358    1.3974    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    2.1035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    3.5025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4842    4.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6351    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    3.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2106    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6922    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9046    4.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  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
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 14  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
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (120)
5192

>  <Formula> (120)
C14H18BrN3O2

>  <MolWeight> (120)
340.21562

>  <Cat> (120)
S6833

>  <Name> (120)
BCI-121

>  <Synonyms> (120)
N/A

>  <Target> (120)
SMYD

>  <Form> (120)
Free Base

>  <CAS> (120)
432529-82-3

>  <URL> (120)
http://www.selleckchem.com/products/bcl-121.html

$$$$

csChFnd80/02272615422D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.5072    9.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10  9  1  1  0  0  0
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 12 13  1  0  0  0  0
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 14 24  1  6  0  0  0
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M  END
>  <Mol_ID> (121)
5208

>  <Formula> (121)
C17H18N4O4

>  <MolWeight> (121)
342.34922

>  <Cat> (121)
S8883

>  <Name> (121)
LLY-283

>  <Synonyms> (121)
N/A

>  <Target> (121)
PRMT

>  <Form> (121)
Free Base

>  <CAS> (121)
2040291-27-6

>  <URL> (121)
http://www.selleckchem.com/products/lly-283.html

$$$$

csChFnd80/02272615422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
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  7  8  1  0  0  0  0
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 10 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 19  1  0  0  0  0
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M  END
>  <Mol_ID> (122)
5238

>  <Formula> (122)
C17H13ClN4

>  <MolWeight> (122)
308.76492

>  <Cat> (122)
S0201

>  <Name> (122)
Z-JIB-04 (NSC 693627)

>  <Synonyms> (122)
JIB-04 Z-isomer, (Z)-JIB-04

>  <Target> (122)
Histone Demethylase,JMJD

>  <Form> (122)
free base

>  <CAS> (122)
199596-24-2

>  <URL> (122)
http://www.selleckchem.com/products/z-jib-04-nsc-693627.html

$$$$

csChFnd80/02272615422D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (123)
5419

>  <Formula> (123)
C18H15Cl2N3O3

>  <MolWeight> (123)
392.236

>  <Cat> (123)
S8837

>  <Name> (123)
FB23-2

>  <Synonyms> (123)
N/A

>  <Target> (123)
FTO

>  <Form> (123)
free base

>  <CAS> (123)
2243736-45-8

>  <URL> (123)
http://www.selleckchem.com/products/fb23-2.html

$$$$

csChFnd80/02272615422D

 53 60  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
5425

>  <Formula> (124)
C42H54N8O3

>  <MolWeight> (124)
718.92996

>  <Cat> (124)
S8918

>  <Name> (124)
MS1943

>  <Synonyms> (124)
N/A

>  <Target> (124)
Histone Methyltransferase

>  <Form> (124)
free base

>  <CAS> (124)
2225938-17-8

>  <URL> (124)
http://www.selleckchem.com/products/ms1943.html

$$$$

csChFnd80/02272615422D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.1550    5.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4912    6.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9298    3.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1238    0.9251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8251    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1357    1.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9946    3.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  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  9  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  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  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
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 22 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (125)
5751

>  <Formula> (125)
C14H20N6O5S

>  <MolWeight> (125)
384.4108

>  <Cat> (125)
S7868

>  <Name> (125)
S-Adenosyl-L-homocysteine (SAH)

>  <Synonyms> (125)
S-Adenosylhomocysteine, AdoHcy, Formycinylhomocysteine

>  <Target> (125)
Histone Methyltransferase

>  <Form> (125)
Free Base

>  <CAS> (125)
979-92-0

>  <URL> (125)
https://www.selleckchem.com/products/s-adenosyl-l-homocysteine.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (126)
6022

>  <Formula> (126)
C32H47FN6O4S

>  <MolWeight> (126)
630.8167832

>  <Cat> (126)
S8996

>  <Name> (126)
Revumenib

>  <Synonyms> (126)
SNDX-5613

>  <Target> (126)
MLL

>  <Form> (126)
Free Base

>  <CAS> (126)
2169919-21-3

>  <URL> (126)
http://www.selleckchem.com/products/sndx-5613.html

$$$$

csChFnd80/02272615422D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  2 10  2  0  0  0  0
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M  END
>  <Mol_ID> (127)
6049

>  <Formula> (127)
C5H7N3O2

>  <MolWeight> (127)
141.12798

>  <Cat> (127)
E0027

>  <Name> (127)
5-Hydroxymethylcytosine

>  <Synonyms> (127)
5hmC

>  <Target> (127)
Others

>  <Form> (127)
Free Base

>  <CAS> (127)
1123-95-1

>  <URL> (127)
http://www.selleckchem.com/products/5-hydroxymethylcytosine.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (128)
6075

>  <Formula> (128)
C16H14Cl2N2O4S

>  <MolWeight> (128)
401.26436

>  <Cat> (128)
S0855

>  <Name> (128)
TC-E 5003

>  <Synonyms> (128)
NSC 30176

>  <Target> (128)
AP-1,PRMT

>  <Form> (128)
Free Base

>  <CAS> (128)
17328-16-4

>  <URL> (128)
http://www.selleckchem.com/products/tc-e-5003.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (129)
6085

>  <Formula> (129)
C14H21N5O3S

>  <MolWeight> (129)
339.41324

>  <Cat> (129)
S2971

>  <Name> (129)
SIBA

>  <Synonyms> (129)
5¡ä-Isobutylthio-5¡ä-deoxyadenosine, 5'-Deoxy-5'-isobutylthioadenosine, 5'-Isobutylthioadenosine

>  <Target> (129)
Others

>  <Form> (129)
Free Base

>  <CAS> (129)
35899-54-8

>  <URL> (129)
http://www.selleckchem.com/products/siba.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (130)
6109

>  <Formula> (130)
C18H14Cl2N2O3

>  <MolWeight> (130)
377.22136

>  <Cat> (130)
S6291

>  <Name> (130)
FB23

>  <Synonyms> (130)
N/A

>  <Target> (130)
FTO

>  <Form> (130)
Free Base

>  <CAS> (130)
2243736-35-6

>  <URL> (130)
http://www.selleckchem.com/products/fb23.html

$$$$

csChFnd80/02272615422D

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>  <Mol_ID> (131)
6155

>  <Formula> (131)
C25H28N6O2

>  <MolWeight> (131)
444.52882

>  <Cat> (131)
S9870

>  <Name> (131)
STM2457

>  <Synonyms> (131)
N/A

>  <Target> (131)
Transferase

>  <Form> (131)
Free Base

>  <CAS> (131)
2499663-01-1

>  <URL> (131)
http://www.selleckchem.com/products/stm2457.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (132)
6160

>  <Formula> (132)
C11H10N4O

>  <MolWeight> (132)
214.2233

>  <Cat> (132)
S9882

>  <Name> (132)
PFI-90

>  <Synonyms> (132)
N/A

>  <Target> (132)
Histone Demethylase

>  <Form> (132)
Free Base

>  <CAS> (132)
53995-62-3

>  <URL> (132)
http://www.selleckchem.com/products/pfi-90.html

$$$$

csChFnd80/02272615422D

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>  <Mol_ID> (133)
6245

>  <Formula> (133)
C16H14N4O

>  <MolWeight> (133)
278.30856

>  <Cat> (133)
S6389

>  <Name> (133)
CPI-455

>  <Synonyms> (133)
N/A

>  <Target> (133)
Histone Demethylase

>  <Form> (133)
Free Base

>  <CAS> (133)
1628208-23-0

>  <URL> (133)
http://www.selleckchem.com/products/cpi-455.html

$$$$

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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 11 26  1  0  0  0  0
 32 27  1  0  0  0  0
 32 28  1  0  0  0  0
 32 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (134)
6268

>  <Formula> (134)
C20H17Cl2F3N4O4

>  <MolWeight> (134)
505.2745896

>  <Cat> (134)
S9876

>  <Name> (134)
Dac51

>  <Synonyms> (134)
N/A

>  <Target> (134)
FTO

>  <Form> (134)
Free Base

>  <CAS> (134)
2243944-92-3 (free base)

>  <URL> (134)
http://www.selleckchem.com/products/dac51.html

$$$$

csChFnd80/02272615422D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.5160    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    5.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    3.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    4.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6601    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  9  2  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (135)
6311

>  <Formula> (135)
C10H11IN2

>  <MolWeight> (135)
286.11221

>  <Cat> (135)
E0133

>  <Name> (135)
NNMTi

>  <Synonyms> (135)
Compound 1k, NNMT inhibitor

>  <Target> (135)
NNMT

>  <Form> (135)
Free Base

>  <CAS> (135)
42464-96-0

>  <URL> (135)
http://www.selleckchem.com/products/nnmti.html

$$$$

csChFnd80/02272615422D

 29 33  0  0  0  0  0  0  0  0999 V2000
   12.1279    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9169    4.8992    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1279    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7024    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9169    6.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3389    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4915    4.8992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9134    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7024    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3389    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7645    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2160    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  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
  6  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 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
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 16 20  1  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
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 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (136)
6468

>  <Formula> (136)
C25H25N3O

>  <MolWeight> (136)
383.4855

>  <Cat> (136)
S3543

>  <Name> (136)
DC-05

>  <Target> (136)
DNA Methyltransferase

>  <Form> (136)
free base

>  <CAS> (136)
890643-16-0

>  <URL> (136)
http://www.selleckchem.com/products/dc-05.html

$$$$

csChFnd80/02272615422D

 33 37  0  0  0  0  0  0  0  0999 V2000
    4.9000    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    8.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    1.2166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4976    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1976    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4976    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5927    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2927    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6927    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2903    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3927    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7927    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4927    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7927    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3927    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2100    4.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  8 11  2  0  0  0  0
  6 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
 15 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22 16  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 25  1  0  0  0  0
 14 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 14  1  0  0  0  0
M  END
>  <Mol_ID> (137)
6642

>  <Formula> (137)
C24H21N5O4

>  <MolWeight> (137)
443.45464

>  <Cat> (137)
E1059

>  <Name> (137)
UNC6934

>  <Target> (137)
NSD

>  <Form> (137)
free base

>  <CAS> (137)
2561494-77-5

>  <URL> (137)
http://www.selleckchem.com/products/unc6934.html

$$$$

csChFnd80/02272615422D

 41 46  0  0  0  0  0  0  0  0999 V2000
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   23.3633    3.5618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7277    4.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
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  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 22  1  0  0  0  0
 26 30  1  6  0  0  0
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 28 32  1  1  0  0  0
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M  END
>  <Mol_ID> (138)
6804

>  <Formula> (138)
C30H42N8O3

>  <MolWeight> (138)
562.70628

>  <Cat> (138)
S7062

>  <Name> (138)
Pinometostat (EPZ5676)

>  <Synonyms> (138)
N/A

>  <Target> (138)
DOT1,Histone Methyltransferase

>  <Form> (138)
free base

>  <CAS> (138)
1380288-87-8

>  <URL> (138)
http://www.selleckchem.com/products/epz-5676.html

$$$$

csChFnd80/02272615422D

 40 45  0  0  0  0  0  0  0  0999 V2000
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   19.0646    5.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8092    5.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2978    8.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  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
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 24 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
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 29  1  0  0  0  0
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 25 38  1  0  0  0  0
 38 39  3  0  0  0  0
 23 40  1  0  0  0  0
M  END
>  <Mol_ID> (139)
6805

>  <Formula> (139)
C28H27F3N8S

>  <MolWeight> (139)
564.6277896

>  <Cat> (139)
S7817

>  <Name> (139)
MI-503

>  <Synonyms> (139)
N/A

>  <Target> (139)
Histone Methyltransferase,MLL

>  <Form> (139)
free base

>  <CAS> (139)
1857417-13-0

>  <URL> (139)
http://www.selleckchem.com/products/mi-503.html

$$$$

csChFnd80/02272615422D

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 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 36  1  0  0  0  0
 39 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 40  1  0  0  0  0
 44 46  1  0  0  0  0
 37 47  1  0  0  0  0
 47 48  1  0  0  0  0
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M  END
>  <Mol_ID> (140)
6807

>  <Formula> (140)
C36H41N7O6

>  <MolWeight> (140)
667.75404

>  <Cat> (140)
S8344

>  <Name> (140)
AZD-5153 6-hydroxy-2-naphthoic acid

>  <Synonyms> (140)
AZD-5153 HNT salt

>  <Target> (140)
Epigenetic Reader Domain,NSD

>  <Form> (140)
free base

>  <CAS> (140)
1869912-40-2

>  <URL> (140)
http://www.selleckchem.com/products/azd5153-6-hydroxy-2-naphthoic-acid.html

$$$$

csChFnd80/02272615422D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    4.9620    0.2734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8500   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9620    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
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  3 17  1  0  0  0  0
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 24 26  1  0  0  0  0
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M  END
>  <Mol_ID> (141)
6808

>  <Formula> (141)
C20H17FN6O

>  <MolWeight> (141)
376.3869832

>  <Cat> (141)
S8983

>  <Name> (141)
MAK683

>  <Synonyms> (141)
EED inhibitor-1

>  <Target> (141)
Histone Methyltransferase

>  <Form> (141)
free base

>  <CAS> (141)
1951408-58-4

>  <URL> (141)
http://www.selleckchem.com/products/mak683.html

$$$$

csChFnd80/02272615422D

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   14.0325    9.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3106    3.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.1009    3.6032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1009    6.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5315    2.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5719    1.3875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.7843    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4933    3.4569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4268    4.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7914    4.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0657    5.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7780    5.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1256    4.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1155    5.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4678    5.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8301    4.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8402    3.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4879    3.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1778    3.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.4261    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  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
  4  6  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 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  8  1  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
 16 13  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 33 38  1  0  0  0  0
 33 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 38  1  0  0  0  0
 43 44  1  6  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 48  1  0  0  0  0
 51 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 54  1  0  0  0  0
 55 59  1  0  0  0  0
 32 34  1  6  0  0  0
 41 60  1  1  0  0  0
M  END
>  <Mol_ID> (142)
6809

>  <Formula> (142)
C43H48N10O6S

>  <MolWeight> (142)
832.96962

>  <Cat> (142)
S9659

>  <Name> (142)
UNC6852

>  <Synonyms> (142)
N/A

>  <Target> (142)
Epigenetic Reader Domain,Histone Methyltransferase,PROTAC

>  <Form> (142)
free base

>  <CAS> (142)
2688842-08-0

>  <URL> (142)
http://www.selleckchem.com/products/unc6852.html

$$$$

csChFnd80/02272615422D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.3688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.3979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    2.1854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.4688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7056    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    4.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    2.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0979    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1362    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 13  2  0  0  0  0
  5 17  2  0  0  0  0
  5 18  1  0  0  0  0
  6 16  1  0  0  0  0
  7 23  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 12 21  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  2  0  0  0  0
  6 17  1  0  0  0  0
M  END
>  <Mol_ID> (143)
6888

>  <Formula> (143)
C17H13N5O2

>  <MolWeight> (143)
319.31742

>  <Cat> (143)
S0269

>  <Name> (143)
GSK467

>  <Synonyms> (143)
N/A

>  <Target> (143)
Histone Demethylase

>  <Form> (143)
Free base

>  <CAS> (143)
1628332-52-4

>  <URL> (143)
http://www.selleckchem.com/products/gsk467.html

$$$$

csChFnd80/02272615422D

 43 46  0  0  0  0  0  0  0  0999 V2000
    9.3365    1.3876    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    9.1301    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    3.5291    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2775   11.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7362    1.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3365    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3365    2.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3371    4.9251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4891    9.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9134    7.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6387    7.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    9.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526   11.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    9.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2127    4.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029   11.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9365    1.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8417    2.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1364    1.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1 38  1  0  0  0  0
  2 30  1  0  0  0  0
  3 32  1  0  0  0  0
  4 20  2  0  0  0  0
  5 34  1  0  0  0  0
  5 37  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 23  1  0  0  0  0
 12 19  2  0  0  0  0
 12 21  1  0  0  0  0
 13 36  3  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
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 34  2  0  0  0  0
 31 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  2  0  0  0  0
 41 43  2  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (144)
6896

>  <Formula> (144)
C30H29F2N5O5S

>  <MolWeight> (144)
609.6435664

>  <Cat> (144)
S0356

>  <Name> (144)
Pulrodemstat (CC-90011) besylate

>  <Synonyms> (144)
LSD1-IN-7 benzenesulfonate

>  <Target> (144)
Histone Demethylase,LSD1

>  <Form> (144)
Besylate

>  <CAS> (144)
2097523-60-7

>  <URL> (144)
http://www.selleckchem.com/products/cc-90011.html

$$$$

csChFnd80/02272615422D

 10 11  0  0  0  0  0  0  0  0999 V2000
    6.4315    2.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7096    0.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8303    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6137    3.4902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0386    2.0976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3908    1.3963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8303    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6137    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7219    3.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  1  9  1  0  0  0  0
  6  2  1  6  0  0  0
  2 10  1  0  0  0  0
  7  3  1  1  0  0  0
  8  4  1  6  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (145)
6985

>  <Formula> (145)
C6H10O4

>  <MolWeight> (145)
146.1412

>  <Cat> (145)
S6984

>  <Name> (145)
Dianhydrogalactitol (VAL-083)

>  <Synonyms> (145)
Dianhydrodulcitol, Dulcitol Diepoxide

>  <Target> (145)
DNA alkylator

>  <Form> (145)
Free base

>  <CAS> (145)
23261-20-3

>  <URL> (145)
http://www.selleckchem.com/products/dianhydrogalactitol-val-083.html

$$$$

csChFnd80/02272615422D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.0522   14.6108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522   13.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 12  1  1  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
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 33 28  1  0  0  0  0
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 36 13  1  1  0  0  0
 15 39  1  1  0  0  0
 23 24  1  0  0  0  0
M  CFW  17 BOND_GSTEREO 5
M  CFW  19 BOND_GSTEREO 5
M  CFW  21 BOND_GSTEREO 5
M  CFW  27 BOND_GSTEREO 5
M  CFW  40 BOND_GSTEREO 5
M  CFW  41 BOND_GSTEREO 5
M  END
>  <Mol_ID> (146)
6987

>  <Formula> (146)
C18H23N9NaO10P

>  <MolWeight> (146)
579.393051

>  <Cat> (146)
S7013

>  <Name> (146)
Guadecitabine (SGI-110)

>  <Synonyms> (146)
S-110

>  <Target> (146)
Others

>  <Form> (146)
Free base

>  <CAS> (146)
929904-85-8

>  <URL> (146)
http://www.selleckchem.com/products/sgi-110.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (147)
6989

>  <Formula> (147)
C29H38Cl2N4O4

>  <MolWeight> (147)
577.54242

>  <Cat> (147)
S7042

>  <Name> (147)
AZ505

>  <Target> (147)
SMYD

>  <Form> (147)
Free base

>  <CAS> (147)
1035227-43-0

>  <URL> (147)
http://www.selleckchem.com/products/az505.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (148)
7013

>  <Formula> (148)
C20H41Cl3N4O2

>  <MolWeight> (148)
475.92414

>  <Cat> (148)
S8858

>  <Name> (148)
GSK3368715 (EPZ019997) 3HCl

>  <Target> (148)
PRMT

>  <Form> (148)
Trihydrochloride

>  <CAS> (148)
2227587-26-8

>  <URL> (148)
http://www.selleckchem.com/products/gsk3368715.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (149)
7024

>  <Formula> (149)
C26H34ClN3O4

>  <MolWeight> (149)
488.01886

>  <Cat> (149)
S8926

>  <Name> (149)
Valemetostat (DS-3201)

>  <Synonyms> (149)
DS-3201b

>  <Target> (149)
EZH1/2

>  <Form> (149)
Free base

>  <CAS> (149)
1809336-39-7

>  <URL> (149)
http://www.selleckchem.com/products/valemetostat-ds-3201.html

$$$$

csChFnd80/02272615422D

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M  END
>  <Mol_ID> (150)
7025

>  <Formula> (150)
C32H47FN6O4S

>  <MolWeight> (150)
630.8167832

>  <Cat> (150)
S8934

>  <Name> (150)
VTP50469

>  <Synonyms> (150)
N/A

>  <Target> (150)
Histone Methyltransferase,MLL

>  <Form> (150)
Free base

>  <CAS> (150)
2169916-18-9

>  <URL> (150)
http://www.selleckchem.com/products/vtp50469.html

$$$$

csChFnd80/02272615422D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
7075

>  <Formula> (151)
C25H22N2O2

>  <MolWeight> (151)
382.45438

>  <Cat> (151)
E0132

>  <Name> (151)
NCGC00244536

>  <Synonyms> (151)
N/A

>  <Target> (151)
Histone Demethylase

>  <Form> (151)
Free base

>  <CAS> (151)
2003260-55-5

>  <URL> (151)
http://www.selleckchem.com/products/ncgc00244536.html

$$$$

csChFnd80/02272615422D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
7098

>  <Formula> (152)
C21H22ClN5O4S

>  <MolWeight> (152)
475.94848

>  <Cat> (152)
E1007

>  <Name> (152)
BRD0639

>  <Synonyms> (152)
N/A

>  <Target> (152)
PRMT

>  <Form> (152)
Free base

>  <CAS> (152)
2760881-74-9

>  <URL> (152)
http://www.selleckchem.com/products/brd0639.html

$$$$

csChFnd80/02272615422D

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>  <Mol_ID> (153)
7104

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C28H34N4O2

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TP-064

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PRMT

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Free base

>  <CAS> (153)
2080306-20-1

>  <URL> (153)
http://www.selleckchem.com/products/tp-064.html

$$$$

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>  <Mol_ID> (154)
7115

>  <Formula> (154)
C27H20N4O

>  <MolWeight> (154)
416.4739

>  <Cat> (154)
E1167

>  <Name> (154)
X1 compound

>  <Target> (154)
Others

>  <Form> (154)
Free base

>  <CAS> (154)
2863686-82-0

>  <URL> (154)
http://www.selleckchem.com/products/x1-compound.html

$$$$

csChFnd80/02272615422D

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>  <Mol_ID> (155)
7117

>  <Formula> (155)
C22H29FN4O2

>  <MolWeight> (155)
400.4896632

>  <Cat> (155)
E1179

>  <Name> (155)
EZM0414

>  <Target> (155)
SETD

>  <Form> (155)
Free base

>  <CAS> (155)
2411748-50-8

>  <URL> (155)
http://www.selleckchem.com/products/ezm0414.html

$$$$

csChFnd80/02272615422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (156)
7183

>  <Formula> (156)
C24H21N3O3

>  <MolWeight> (156)
399.44184

>  <Cat> (156)
S2943

>  <Name> (156)
BRD9539

>  <Synonyms> (156)
N/A

>  <Target> (156)
Epigenetic Reader Domain,G9a/GLP

>  <Form> (156)
Free bC22H16Cl3N7O6ase

>  <CAS> (156)
1374601-41-8

>  <URL> (156)
http://www.selleckchem.com/products/brd9539.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/02272615422D

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  3  4  1  0  0  0  0
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>  <Mol_ID> (157)
7423

>  <Formula> (157)
C5H6Na2O5

>  <MolWeight> (157)
192.07768

>  <Cat> (157)
S7873

>  <Name> (157)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (157)
D-¦Á-Hydroxyglutaric acid disodium

>  <Target> (157)
ROS

>  <Form> (157)
disodium salt

>  <CAS> (157)
103404-90-6

>  <URL> (157)
http://selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
EPZ005687.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (158)
7440

>  <Formula> (158)
C32H37N5O3

>  <MolWeight> (158)
539.66788

>  <Cat> (158)
S7004

>  <Name> (158)
EPZ005687

>  <Synonyms> (158)
N/A

>  <Target> (158)
EZH1/2,Histone Methyltransferase

>  <Form> (158)
Free Base

>  <CAS> (158)
1396772-26-1

>  <URL> (158)
http://selleckchem.com/products/epz005687.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (159)
7451

>  <Formula> (159)
C34H44N4O4

>  <MolWeight> (159)
572.73756

>  <Cat> (159)
S7128

>  <Name> (159)
Tazemetostat (EPZ-6438)

>  <Synonyms> (159)
E7438

>  <Target> (159)
EZH1/2,Histone Methyltransferase

>  <Form> (159)
free base

>  <CAS> (159)
1403254-99-8

>  <URL> (159)
http://selleckchem.com/products/epz-6438.html

$$$$
GSK126.cdx
csChFnd80/02272615422D

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M  END
>  <Mol_ID> (160)
7472

>  <Formula> (160)
C31H38N6O2

>  <MolWeight> (160)
526.67242

>  <Cat> (160)
S7061

>  <Name> (160)
GSK126

>  <Synonyms> (160)
GSK2816126A, GSK2816126

>  <Target> (160)
EZH1/2,Histone Methyltransferase

>  <Form> (160)
Free Base

>  <CAS> (160)
1346574-57-9

>  <URL> (160)
http://selleckchem.com/products/gsk126.html

$$$$
S4605 Folic acid.cdx
csChFnd80/02272615422D

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    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  2  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
 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
 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
 24 22  1  1  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
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (161)
8200

>  <Formula> (161)
C19H19N7O6

>  <MolWeight> (161)
441.39746

>  <Cat> (161)
S4605

>  <Name> (161)
Folic acid

>  <Synonyms> (161)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (161)
Vitamin

>  <Form> (161)
free base

>  <CAS> (161)
59-30-3

>  <URL> (161)
http://selleckchem.com/products/folic-acid.html

$$$$
S4811 VitaMin U.cdx
csChFnd80/02272615422D

 11  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    0.3690    0.0000 Cl  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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (162)
8241

>  <Formula> (162)
C6H14ClNO2S

>  <MolWeight> (162)
199.69886

>  <Cat> (162)
S4811

>  <Name> (162)
VitaMin U

>  <Synonyms> (162)
Methylmethioninesulfonium Chloride, Cabagin-U, Smethylmethionine

>  <Target> (162)
Vitamin

>  <Form> (162)
chloride

>  <CAS> (162)
3493-12-7

>  <URL> (162)
http://selleckchem.com/products/vitamin-u.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/02272615422D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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
M  END
>  <Mol_ID> (163)
8294

>  <Formula> (163)
C3H7NO3

>  <MolWeight> (163)
105.09258

>  <Cat> (163)
S5545

>  <Name> (163)
DL-Serine

>  <Synonyms> (163)
N/A

>  <Target> (163)
PKM

>  <Form> (163)
salt

>  <CAS> (163)
302-84-1

>  <URL> (163)
http://selleckchem.com/products/dl-serine.html

$$$$

csChFnd80/02272615422D

 40 44  0  0  0  0  0  0  0  0999 V2000
    3.1335    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    8.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0454    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 13 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 13  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (164)
8422

>  <Formula> (164)
C31H39N7O2

>  <MolWeight> (164)
541.68706

>  <Cat> (164)
S7164

>  <Name> (164)
GSK343

>  <Synonyms> (164)
N/A

>  <Target> (164)
Autophagy,EZH1/2,Histone Methyltransferase

>  <Form> (164)
Free Base

>  <CAS> (164)
1346704-33-3

>  <URL> (164)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/02272615422D

 12  9  0  0  0  0  0  0  0  0999 V2000
   10.7932    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0781    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2907    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4408    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6533    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  1  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8  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
M  END
>  <Mol_ID> (165)
9692

>  <Formula> (165)
C5H6Na2O5

>  <MolWeight> (165)
192.07768

>  <Cat> (165)
S1325

>  <Name> (165)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (165)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LGA, L-2HG

>  <Target> (165)
Histone Demethylase

>  <Form> (165)
Disodium

>  <CAS> (165)
63512-50-5

>  <URL> (165)
https://www.selleckchem.com/products/l-2-hydroxyglutaric-acid-disodium.html

$$$$

csChFnd80/02272615422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4000    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  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  3  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
  9 11  1  0  0  0  0
  4  9  2  3  0  0  0
M  CFW  11 B_NG_STER 3
M  END
>  <Mol_ID> (166)
9762

>  <Formula> (166)
C6H7N3O3

>  <MolWeight> (166)
169.13808

>  <Cat> (166)
E0351

>  <Name> (166)
NSC232003

>  <Synonyms> (166)
N/A

>  <Target> (166)
E3 Ligase

>  <Form> (166)
Free Base

>  <CAS> (166)
1905453-18-0

>  <URL> (166)
http://www.selleckchem.com/products/nsc232003.html

$$$$

csChFnd80/02272615422D

 37 42  0  0  0  0  0  0  0  0999 V2000
    7.9531    8.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5531    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2531    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    6.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    8.3150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7433    5.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4117    5.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0344    4.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715    4.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9940    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4531    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4531    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 13 26  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 19  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
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 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
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 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (167)
9841

>  <Formula> (167)
C30H27N5O2

>  <MolWeight> (167)
489.56768

>  <Cat> (167)
S9872

>  <Name> (167)
AG-270

>  <Target> (167)
MAT2A

>  <Form> (167)
Free base

>  <CAS> (167)
2201056-66-6

>  <URL> (167)
https://www.selleckchem.com/products/ag-270.html

$$$$
