ABT-888(Veliparib).cdx
csChFnd80/09261916232D

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ABT-888 (Veliparib)

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>  <Target> (1)
PARP 

>  <Form> (1)
Free Base

>  <CAS> (1)
912444-00-9

>  <URL> (1)
http://www.selleckchem.com/products/ABT-888.html

$$$$
untitled.cdx
csChFnd80/09261916232D

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C21H23N3O2

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S1030

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Panobinostat (LBH589)

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N/A 

>  <Target> (2)
HDAC 

>  <Form> (2)
Free Base

>  <CAS> (2)
404950-80-7

>  <URL> (2)
http://www.selleckchem.com/products/LBH-589.html

$$$$
AR-42.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (3)
3

>  <Formula> (3)
C18H20N2O3

>  <MolWeight> (3)
312.363

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S2244

>  <Name> (3)
AR-42 (HDAC-42)

>  <Synonyms> (3)
OSU-HDAC42

>  <Target> (3)
HDAC 

>  <Form> (3)
Free Base

>  <CAS> (3)
935881-37-1

>  <URL> (3)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

$$$$
vorinostat.cdx
csChFnd80/09261916232D

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4

>  <Formula> (4)
C14H20N2O3

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>  <Cat> (4)
S1047

>  <Name> (4)
Vorinostat (SAHA, MK0683)

>  <Synonyms> (4)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (4)
HDAC

>  <Form> (4)
Free Base

>  <CAS> (4)
149647-78-9

>  <URL> (4)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

$$$$
untitled.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (5)
5

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
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>  <Cat> (5)
S1048

>  <Name> (5)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
Free Base

>  <CAS> (5)
639089-54-6

>  <URL> (5)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
untitled.cdx
csChFnd80/09261916232D

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HDAC 

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209783-80-2

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>  <Mol_ID> (7)
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>  <Formula> (7)
C32H29N5O2

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>  <Name> (7)
Enzastaurin (LY317615)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
PKC 

>  <Form> (7)
Free Base

>  <CAS> (7)
170364-57-5

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

$$$$
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csChFnd80/09261916232D

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8

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C24H23FN4O3

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KU-0059436 

>  <Target> (8)
PARP 

>  <Form> (8)
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>  <CAS> (8)
763113-22-0

>  <URL> (8)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

$$$$
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>  <Formula> (9)
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>  <Target> (9)
HDAC 

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>  <CAS> (9)
414864-00-9

>  <URL> (9)
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$$$$
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HDAC 

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783355-60-2

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C22H25N3O3

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LAQ824 (Dacinostat)

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404951-53-7

>  <URL> (12)
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459868-92-9

>  <URL> (13)
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Aurora Kinase

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331771-20-1

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http://www.selleckchem.com/products/ZM-447439.html

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827318-97-8

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HDAC 

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726169-73-9

>  <URL> (17)
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SRT1720 HCl

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N/A

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Sirtuin

>  <Form> (18)
Hydrochloride

>  <CAS> (18)
1001645-58-4

>  <URL> (18)
http://www.selleckchem.com/products/SRT1720.html

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N/A

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PARP 

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Free Base

>  <CAS> (19)
3544-24-9

>  <URL> (19)
http://www.selleckchem.com/products/INO-1001.html

$$$$
mln8237.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (20)
20

>  <Formula> (20)
C27H20ClFN4O4

>  <MolWeight> (20)
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S1133

>  <Name> (20)
MLN8237 (Alisertib)

>  <Synonyms> (20)
Alisertib

>  <Target> (20)
Aurora Kinase

>  <Form> (20)
Free Base

>  <CAS> (20)
1028486-01-2

>  <URL> (20)
http://www.selleckchem.com/products/MLN8237.html

$$$$
AT9283.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (21)
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>  <Formula> (21)
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N/A

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Bcr-Abl, JAK, Aurora Kinase

>  <Form> (21)
Free Base

>  <CAS> (21)
896466-04-9

>  <URL> (21)
http://www.selleckchem.com/products/AT9283.html

$$$$
AG-490.cdx
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>  <Mol_ID> (22)
22

>  <Formula> (22)
C17H14N2O3

>  <MolWeight> (22)
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>  <Cat> (22)
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>  <Name> (22)
AG-490 (Tyrphostin B42)

>  <Synonyms> (22)
N/A

>  <Target> (22)
JAK, EGFR

>  <Form> (22)
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>  <CAS> (22)
133550-30-8 

>  <URL> (22)
http://www.selleckchem.com/products/AG-490.html

$$$$
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>  <Mol_ID> (23)
23

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C26H30FN7O3

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S1147

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Barasertib (AZD1152-HQPA)

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AZD1152 

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Aurora Kinase

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Free Base

>  <CAS> (23)
722544-51-6

>  <URL> (23)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
cyc116.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (24)
24

>  <Formula> (24)
C18H20N6OS

>  <MolWeight> (24)
368.456

>  <Cat> (24)
S1171

>  <Name> (24)
CYC116

>  <Synonyms> (24)
N/A

>  <Target> (24)
Aurora Kinase, VEGFR

>  <Form> (24)
Free Base

>  <CAS> (24)
693228-63-6

>  <URL> (24)
http://www.selleckchem.com/products/CYC116.html

$$$$
ENMD-2076.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (25)
25

>  <Formula> (25)
C21H25N7

>  <MolWeight> (25)
375.4701

>  <Cat> (25)
S1181

>  <Name> (25)
ENMD-2076

>  <Synonyms> (25)
N/A 

>  <Target> (25)
Flt, Aurora Kinase, VEGFR

>  <Form> (25)
Tartaric Acid 

>  <CAS> (25)
934353-76-1

>  <URL> (25)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
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csChFnd80/09261916232D

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>  <Mol_ID> (26)
26

>  <Formula> (26)
C24H26N4O4

>  <MolWeight> (26)
434.48764

>  <Cat> (26)
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>  <Name> (26)
CUDC-101

>  <Synonyms> (26)
N/A

>  <Target> (26)
HDAC, EGFR, HER2

>  <Form> (26)
Free Base

>  <CAS> (26)
1012054-59-9

>  <URL> (26)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/09261916232D

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  4  8  1  6  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C8H12N4O4

>  <MolWeight> (27)
228.20528

>  <Cat> (27)
S1200

>  <Name> (27)
Decitabine

>  <Synonyms> (27)
Dacogen

>  <Target> (27)
DNA/RNA Synthesis

>  <Form> (27)
Free Base

>  <CAS> (27)
2353-33-5

>  <URL> (27)
http://www.selleckchem.com/products/Decitabine.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 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
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 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
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  2 20  1  0  0  0  0
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  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C19H26O3

>  <MolWeight> (28)
302.40794

>  <Cat> (28)
S1233

>  <Name> (28)
2-Methoxyestradiol

>  <Synonyms> (28)
2-ME2

>  <Target> (28)
HIF

>  <Form> (28)
Free Base

>  <CAS> (28)
362-07-2

>  <URL> (28)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
JNJ-7706621.cdx
csChFnd80/09261916232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    4.1927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0  0  0  0
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 14 17  1  0  0  0  0
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M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C15H12F2N6O3S

>  <MolWeight> (29)
394.3559864

>  <Cat> (29)
S1249

>  <Name> (29)
JNJ-7706621

>  <Synonyms> (29)
N/A 

>  <Target> (29)
CDK, Aurora Kinase

>  <Form> (29)
Free Base

>  <CAS> (29)
443797-96-4

>  <URL> (29)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
Nicotinamide.cdx
csChFnd80/09261916232D

  9  9  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
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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C6H6N2O

>  <MolWeight> (30)
122.12464

>  <Cat> (30)
S1899

>  <Name> (30)
Nicotinamide (Vitamin B3)

>  <Synonyms> (30)
Niacinamide

>  <Target> (30)
Sirtuin

>  <Form> (30)
Free Base

>  <CAS> (30)
98-92-0

>  <URL> (30)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

$$$$
resveratrol.cdx
csChFnd80/09261916232D

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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C14H12O3

>  <MolWeight> (31)
228.24328

>  <Cat> (31)
S1396

>  <Name> (31)
Resveratrol

>  <Synonyms> (31)
N/A

>  <Target> (31)
Sirtuin

>  <Form> (31)
Free Base

>  <CAS> (31)
501-36-0

>  <URL> (31)
http://www.selleckchem.com/products/Resveratrol.html

$$$$
Droxinostat.cdx
csChFnd80/09261916232D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C11H14ClNO3

>  <MolWeight> (32)
243.68676

>  <Cat> (32)
S1422

>  <Name> (32)
Droxinostat

>  <Synonyms> (32)
N/A

>  <Target> (32)
HDAC 

>  <Form> (32)
Free Base

>  <CAS> (32)
99873-43-5

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/09261916232D

 42 46  0  0  0  0  0  0  0  0999 V2000
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   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (33)
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>  <Target> (33)
Aurora Kinase

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Free Base

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1158838-45-9

>  <URL> (33)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

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>  <Mol_ID> (34)
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>  <Formula> (34)
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>  <MolWeight> (34)
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PHA-680632

>  <Synonyms> (34)
N/A

>  <Target> (34)
Aurora Kinase

>  <Form> (34)
Free Base

>  <CAS> (34)
398493-79-3

>  <URL> (34)
http://www.selleckchem.com/products/PHA-680632.html

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>  <Mol_ID> (35)
35

>  <Formula> (35)
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>  <Name> (35)
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>  <Synonyms> (35)
N/A 

>  <Target> (35)
HIF

>  <Form> (35)
Free Base

>  <CAS> (35)
808118-40-3

>  <URL> (35)
http://www.selleckchem.com/products/fg-4592.html

$$$$
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>  <Mol_ID> (36)
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>  <Formula> (36)
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>  <MolWeight> (36)
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>  <Cat> (36)
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>  <Name> (36)
MC1568

>  <Synonyms> (36)
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>  <Target> (36)
HDAC 

>  <Form> (36)
Free Base

>  <CAS> (36)
852475-26-4

>  <URL> (36)
http://www.selleckchem.com/products/MC1568.html

$$$$
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934162-61-5

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http://www.selleckchem.com/products/A-966492.html

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Aurora Kinase

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>  <URL> (39)
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49843-98-3

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csChFnd80/09261916232D

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1092499-93-8 (free base)

>  <URL> (41)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/09261916232D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C16H31NaO4

>  <MolWeight> (42)
310.40471

>  <Cat> (42)
S1703

>  <Name> (42)
Divalproex sodium

>  <Synonyms> (42)
Depakote, Epival

>  <Target> (42)
HDAC

>  <Form> (42)
Sodium Salt

>  <CAS> (42)
76584-70-8

>  <URL> (42)
http://www.selleckchem.com/products/Divalproex-sodium.html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/09261916232D

 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> (43)
43

>  <Formula> (43)
C5H5N5S

>  <MolWeight> (43)
167.1917

>  <Cat> (43)
S1774

>  <Name> (43)
Thioguanine

>  <Synonyms> (43)
6-Thioguanine

>  <Target> (43)
Others

>  <Form> (43)
Free Base

>  <CAS> (43)
154-42-7

>  <URL> (43)
http://www.selleckchem.com/products/Thioguanine.html

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/09261916232D

 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> (44)
44

>  <Formula> (44)
C8H12N4O5

>  <MolWeight> (44)
244.20468

>  <Cat> (44)
S1782

>  <Name> (44)
Azacitidine (Vidaza)

>  <Synonyms> (44)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (44)
DNA/RNA Synthesis

>  <Form> (44)
Free Base

>  <CAS> (44)
320-67-2

>  <URL> (44)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
Baricitinib.cdx
csChFnd80/09261916232D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    8.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    8.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    6.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    8.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    6.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    7.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5433    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    2.6124    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
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  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
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C16H17N7O2S

>  <MolWeight> (45)
371.41688

>  <Cat> (45)
S2851

>  <Name> (45)
Baricitinib (LY3009104)

>  <Synonyms> (45)
INCB 28050

>  <Target> (45)
JAK

>  <Form> (45)
Free Base

>  <CAS> (45)
1187594-09-7

>  <URL> (45)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/09261916232D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    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
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C4H12ClN5

>  <MolWeight> (46)
165.62458

>  <Cat> (46)
S1950

>  <Name> (46)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (46)
Glucophage, Riomet, Diabex

>  <Target> (46)
Others

>  <Form> (46)
Hydrochloride

>  <CAS> (46)
1115-70-4

>  <URL> (46)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Quercetin.cdx
csChFnd80/09261916232D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C15H10O7

>  <MolWeight> (47)
302.2357

>  <Cat> (47)
S2391

>  <Name> (47)
Quercetin (Sophoretin)

>  <Synonyms> (47)
Meletin, Quercetine

>  <Target> (47)
PI3K, PKC, Src, Sirtuin

>  <Form> (47)
Free Base

>  <CAS> (47)
117-39-5

>  <URL> (47)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
KW2449.cdx
csChFnd80/09261916232D

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    5.7635    5.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Flt, Bcr-Abl, Aurora Kinase

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Free Base

>  <CAS> (48)
1000669-72-6

>  <URL> (48)
http://www.selleckchem.com/products/KW-2449.html

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>  <Formula> (49)
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>  <Synonyms> (49)
N/A 

>  <Target> (49)
HDAC 

>  <Form> (49)
Chloride

>  <CAS> (49)
732302-99-7

>  <URL> (49)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

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>  <Target> (50)
DNA/RNA Synthesis

>  <Form> (50)
Free Base

>  <CAS> (50)
486-35-1

>  <URL> (50)
http://www.selleckchem.com/products/Daphnetin.html

$$$$
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N/A

>  <Target> (51)
PARP

>  <Form> (51)
Free Base

>  <CAS> (51)
328543-09-5

>  <URL> (51)
http://www.selleckchem.com/products/AG14361.html

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>  <Synonyms> (52)
N/A

>  <Target> (52)
JAK 

>  <Form> (52)
Free Base

>  <CAS> (52)
1229236-86-5

>  <URL> (52)
http://www.selleckchem.com/products/LY2784544.html

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Pim

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1025065-69-3

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http://www.selleckchem.com/products/SGI-1776.html

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>  <Mol_ID> (54)
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>  <Target> (54)
JAK

>  <Form> (54)
Free Base

>  <CAS> (54)
905586-69-8

>  <URL> (54)
http://www.selleckchem.com/products/AZ-960.html

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>  <Mol_ID> (55)
55

>  <Formula> (55)
C23H22N6O2

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>  <Name> (55)
Momelotinib (CYT387)

>  <Synonyms> (55)
CYT 11387 

>  <Target> (55)
JAK 

>  <Form> (55)
Free Base

>  <CAS> (55)
1056634-68-4

>  <URL> (55)
http://www.selleckchem.com/products/Cyt387.html

$$$$
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>  <Mol_ID> (56)
56

>  <Formula> (56)
C22H18O11

>  <MolWeight> (56)
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>  <Cat> (56)
S2250

>  <Name> (56)
(-)-Epigallocatechin gallate

>  <Synonyms> (56)
EGCG

>  <Target> (56)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (56)
Free Base

>  <CAS> (56)
989-51-5

>  <URL> (56)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
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M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C15H10O6

>  <MolWeight> (57)
286.2363

>  <Cat> (57)
S2298

>  <Name> (57)
Fisetin (Fustel)

>  <Synonyms> (57)
Fustel, Viset

>  <Target> (57)
Sirtuin

>  <Form> (57)
Free Base

>  <CAS> (57)
528-48-3

>  <URL> (57)
http://www.selleckchem.com/products/Fisetin(Fustel).html

$$$$
Myricitrin.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C21H20O12

>  <MolWeight> (58)
464.3763

>  <Cat> (58)
S2327

>  <Name> (58)
Myricitrin (Myricitrine)

>  <Synonyms> (58)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (58)
PKC

>  <Form> (58)
Free Base

>  <CAS> (58)
17912-87-7

>  <URL> (58)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Parthenolide.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C15H20O3

>  <MolWeight> (59)
248.3175

>  <Cat> (59)
S2341

>  <Name> (59)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (59)
N/A 

>  <Target> (59)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (59)
Free Base

>  <CAS> (59)
20554-84-1

>  <URL> (59)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

$$$$
Curcumol.cdx
csChFnd80/09261916232D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C15H24O2

>  <MolWeight> (60)
236.34986

>  <Cat> (60)
S2407

>  <Name> (60)
Curcumol

>  <Synonyms> (60)
N/A

>  <Target> (60)
JAK

>  <Form> (60)
Free Base

>  <CAS> (60)
4871-97-0

>  <URL> (60)
http://www.selleckchem.com/products/Curcumol.html

$$$$
TAK-901.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C28H32N4O3S

>  <MolWeight> (61)
504.64368

>  <Cat> (61)
S2718

>  <Name> (61)
TAK-901

>  <Synonyms> (61)
N/A

>  <Target> (61)
Aurora Kinase

>  <Form> (61)
Free Base

>  <CAS> (61)
934541-31-8

>  <URL> (61)
http://www.selleckchem.com/products/tak-901.html

$$$$
TG1012009.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (62)
62

>  <Formula> (62)
C26H35N7O2S

>  <MolWeight> (62)
509.6668

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S2692

>  <Name> (62)
TG101209

>  <Synonyms> (62)
N/A

>  <Target> (62)
Flt, JAK, c-RET

>  <Form> (62)
Free Base

>  <CAS> (62)
936091-14-4

>  <URL> (62)
http://www.selleckchem.com/products/tg101209.html

$$$$
AMG900.cdx
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>  <Mol_ID> (63)
63

>  <Formula> (63)
C28H21N7OS

>  <MolWeight> (63)
503.57764

>  <Cat> (63)
S2719

>  <Name> (63)
AMG 900

>  <Synonyms> (63)
N/A

>  <Target> (63)
Aurora Kinase

>  <Form> (63)
Free Base

>  <CAS> (63)
945595-80-2

>  <URL> (63)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/09261916232D

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>  <Mol_ID> (64)
64

>  <Formula> (64)
C22H30Cl2N4O6

>  <MolWeight> (64)
517.4028

>  <Cat> (64)
S2485

>  <Name> (64)
Mitoxantrone 2HCl

>  <Synonyms> (64)
NSC-301739

>  <Target> (64)
Topoisomerase

>  <Form> (64)
Dihydrochloride

>  <CAS> (64)
70476-82-3

>  <URL> (64)
http://www.selleckchem.com/products/Mitoxantrone.html

$$$$
CP-690550 citrate.cdx
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Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (65)
N/A 

>  <Target> (65)
JAK

>  <Form> (65)
Citrate

>  <CAS> (65)
540737-29-9

>  <URL> (65)
http://www.selleckchem.com/products/CP-690550.html

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Phenformin hydrochloride 

>  <Synonyms> (66)
N/A

>  <Target> (66)
AMPK

>  <Form> (66)
Hydrochloride 

>  <CAS> (66)
834-28-6

>  <URL> (66)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

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Curcumin.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (67)
67

>  <Formula> (67)
C21H20O6

>  <MolWeight> (67)
368.3799

>  <Cat> (67)
S1848

>  <Name> (67)
Curcumin

>  <Synonyms> (67)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (67)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (67)
Free Base

>  <CAS> (67)
458-37-7

>  <URL> (67)
http://www.selleckchem.com/products/Curcumin.html

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A769662.cdx
csChFnd80/09261916232D

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C20H12N2O3S

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A-769662

>  <Synonyms> (68)
N/A

>  <Target> (68)
AMPK

>  <Form> (68)
Free Base

>  <CAS> (68)
844499-71-4

>  <URL> (68)
http://www.selleckchem.com/products/a-769662.html

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csChFnd80/09261916232D

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>  <Target> (69)
Aurora Kinase

>  <Form> (69)
Free Base

>  <CAS> (69)
942918-07-2

>  <URL> (69)
http://www.selleckchem.com/products/gsk1070916.html

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JAK 

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936091-26-8

>  <URL> (70)
http://www.selleckchem.com/products/tg-101348.html

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>  <Mol_ID> (71)
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>  <Name> (71)
MK-5108 (VX-689)

>  <Synonyms> (71)
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>  <Target> (71)
Aurora Kinase

>  <Form> (71)
Free Base

>  <CAS> (71)
1010085-13-8

>  <URL> (71)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
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>  <Synonyms> (72)
N/A

>  <Target> (72)
HDAC

>  <Form> (72)
Hydrochloride

>  <CAS> (72)
1310693-92-5

>  <URL> (72)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
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950762-95-5

>  <URL> (73)
http://www.selleckchem.com/products/pci-34051.html

$$$$
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Free Base

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425637-18-9

>  <URL> (79)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

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Sirtinol

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Sirtuin 

>  <Form> (80)
Free Base

>  <CAS> (80)
410536-97-9

>  <URL> (80)
http://www.selleckchem.com/products/sirtinol.html

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JAK

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1257704-57-6

>  <URL> (81)
http://www.selleckchem.com/products/cep33779.html

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HDAC

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112522-64-2

>  <URL> (82)
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>  <Mol_ID> (83)
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>  <Formula> (83)
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>  <Cat> (83)
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Entacapone

>  <Synonyms> (83)
N/A 

>  <Target> (83)
Histone Methyltransferase

>  <Form> (83)
Free Base

>  <CAS> (83)
130929-57-6

>  <URL> (83)
http://www.selleckchem.com/products/entacapone.html

$$$$
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>  <Mol_ID> (84)
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>  <Formula> (84)
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>  <MolWeight> (84)
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>  <Cat> (84)
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>  <Name> (84)
WHI-P154

>  <Synonyms> (84)
N/A

>  <Target> (84)
JAK, EGFR

>  <Form> (84)
Free Base

>  <CAS> (84)
211555-04-3

>  <URL> (84)
http://www.selleckchem.com/products/whi-p154.html

$$$$
S-Ruxolitinib.cdx
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>  <Mol_ID> (85)
85

>  <Formula> (85)
C17H18N6

>  <MolWeight> (85)
306.36502

>  <Cat> (85)
S2902

>  <Name> (85)
S-Ruxolitinib

>  <Synonyms> (85)
N/A

>  <Target> (85)
JAK

>  <Form> (85)
Free Base

>  <CAS> (85)
941685-37-6

>  <URL> (85)
http://www.selleckchem.com/products/s-ruxolitinib.html

$$$$
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>  <Mol_ID> (86)
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>  <Formula> (86)
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Go 6983

>  <Synonyms> (86)
N/A

>  <Target> (86)
PKC

>  <Form> (86)
Free Base

>  <CAS> (86)
133053-19-7

>  <URL> (86)
http://www.selleckchem.com/products/go-6983.html

$$$$
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>  <Synonyms> (87)
N/A

>  <Target> (87)
HIF

>  <Form> (87)
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>  <CAS> (87)
931398-72-0

>  <URL> (87)
http://www.selleckchem.com/products/iox2.html

$$$$
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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  1  1  0  0  0  0
  5  6  1  1  0  0  0
  3  7  1  1  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14  7  1  0  0  0  0
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 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C9H14N4O5

>  <MolWeight> (88)
258.23126

>  <Cat> (88)
S1802

>  <Name> (88)
AICAR (Acadesine)

>  <Synonyms> (88)
AICAR, AICA-riboside

>  <Target> (88)
AMPK

>  <Form> (88)
Free Base

>  <CAS> (88)
2627-69-2

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

$$$$
PF-06405761.cdx
csChFnd80/09261916232D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.7386    1.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5440    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9437    1.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6452    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9347    4.0327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    4.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0438    2.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340    5.2439    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  6  2  0  0  0  0
  5  4  2  0  0  0  0
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  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 14 17  1  0  0  0  0
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 18 19  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
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C16H17N3O4S

>  <MolWeight> (89)
347.38888

>  <Cat> (89)
S1216

>  <Name> (89)
PFI-1(PF-6405761) 

>  <Synonyms> (89)
PF-06405761

>  <Target> (89)
Epigenetic Reader Domain

>  <Form> (89)
Free Base

>  <CAS> (89)
1403764-72-6

>  <URL> (89)
http://www.selleckchem.com/products/pfl-1.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/09261916232D

 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
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    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
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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
  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> (90)
90

>  <Formula> (90)
C10H11NaO2

>  <MolWeight> (90)
186.18291

>  <Cat> (90)
S4125

>  <Name> (90)
Sodium Phenylbutyrate

>  <Synonyms> (90)
N/A

>  <Target> (90)
HDAC

>  <Form> (90)
Sodium Salt

>  <CAS> (90)
1716-12-7

>  <URL> (90)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/09261916232D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    0.0000    0.0000 O   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
  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
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C16H19N3O4S

>  <MolWeight> (91)
349.40476

>  <Cat> (91)
S2693

>  <Name> (91)
Resminostat (RAS2410)

>  <Synonyms> (91)
4SC-201, BYK408740

>  <Target> (91)
HDAC

>  <Form> (91)
Free Base

>  <CAS> (91)
864814-88-0

>  <URL> (91)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
S4246.cdx
csChFnd80/09261916232D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.5079    5.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    4.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    3.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    2.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895    2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    4.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3323    5.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6501    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    4.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  6  0  0  0
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  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C9H12ClNR

>  <MolWeight> (92)
169.65128

>  <Cat> (92)
S4246

>  <Name> (92)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (92)
N/A

>  <Target> (92)
MAO

>  <Form> (92)
Hydrochloride

>  <CAS> (92)
4548-34-9

>  <URL> (92)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Tenovin-6 HCl.cdx
csChFnd80/09261916232D

 33 33  0  0  0  0  0  0  0  0999 V2000
    6.0706    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5049    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
    3.6415    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1370    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8407    6.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0532    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    7.7098    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
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 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  2  0  0  0  0
 19 20  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 26  1  0  0  0  0
 16 19  1  0  0  0  0
 11 13  1  0  0  0  0
  9 10  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C25H35ClN4O2S

>  <MolWeight> (93)
491.089

>  <Cat> (93)
S4900

>  <Name> (93)
Tenovin-6

>  <Synonyms> (93)
N/A

>  <Target> (93)
p53,Sirtuin

>  <Form> (93)
Free Base

>  <CAS> (93)
1011557-82-6

>  <URL> (93)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/09261916232D

 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
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    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
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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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M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C13H22ClN3O

>  <MolWeight> (94)
271.78628

>  <Cat> (94)
S4294

>  <Name> (94)
Procainamide HCl

>  <Synonyms> (94)
N/A

>  <Target> (94)
Sodium Channel

>  <Form> (94)
Hydrochloride

>  <CAS> (94)
614-39-1

>  <URL> (94)
http://www.selleckchem.com/products/procainamide-hcl.html

$$$$
R-Ruxolitinib.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C17H18N6

>  <MolWeight> (95)
306.36502

>  <Cat> (95)
S1378

>  <Name> (95)
Ruxolitinib (INCB018424)

>  <Synonyms> (95)
N/A

>  <Target> (95)
JAK

>  <Form> (95)
Free Base

>  <CAS> (95)
941678-49-5

>  <URL> (95)
http://www.selleckchem.com/products/INCB18424.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C25H31N7O6

>  <MolWeight> (96)
525.55694

>  <Cat> (96)
S2018

>  <Name> (96)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (96)
N/A

>  <Target> (96)
FLT3

>  <Form> (96)
Free Base

>  <CAS> (96)
1291074-87-7

>  <URL> (96)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C21H28Cl2N6O2

>  <MolWeight> (97)
467.39202

>  <Cat> (97)
S1096

>  <Name> (97)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (97)
N/A

>  <Target> (97)
HDAC

>  <Form> (97)
Dihydrochloride

>  <CAS> (97)
875320-31-3

>  <URL> (97)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$

csChFnd80/09261916232D

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  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> (98)
98

>  <Formula> (98)
C20H28Cl3N3O3

>  <MolWeight> (98)
464.81362

>  <Cat> (98)
S4589

>  <Name> (98)
Amodiaquin (dihydrochloride dihydrate)

>  <Synonyms> (98)
N/A

>  <Target> (98)
Transferase,Histone

>  <Form> (98)
dihydrochloride dihydrate

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

>  <URL> (98)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

$$$$
S4715 Benzamide.cdx
csChFnd80/09261916232D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.6999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4250    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C7H7NO

>  <MolWeight> (99)
121.13658

>  <Cat> (99)
S4715

>  <Name> (99)
Benzamide

>  <Synonyms> (99)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (99)
Others

>  <Form> (99)
Free Base

>  <CAS> (99)
55-21-0

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/09261916232D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    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
    2.1000    0.0000    0.0000 N   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
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C6H6N2O

>  <MolWeight> (100)
122.12464

>  <Cat> (100)
S4710

>  <Name> (100)
Picolinamide

>  <Synonyms> (100)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (100)
PARP

>  <Form> (100)
Free Base

>  <CAS> (100)
1452-77-3

>  <URL> (100)
http://www.selleckchem.com/products/picolinamide.html

$$$$
MK4827.cdx
csChFnd80/09261916232D

 24 27  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
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    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  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C19H20N4O

>  <MolWeight> (101)
320.3883

>  <Cat> (101)
S2741

>  <Name> (101)
MK-4827(Niraparib)

>  <Synonyms> (101)
N/A

>  <Target> (101)
PARP

>  <Form> (101)
Free Base

>  <CAS> (101)
1038915-60-4

>  <URL> (101)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/09261916232D

 52 56  0  0  0  0  0  0  0  0999 V2000
   10.9455    3.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    3.9469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9455    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    4.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1128    2.8021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7306    5.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2825    1.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    5.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5127    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015    5.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7406    6.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2033    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2082    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5410    6.8893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5096    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5927    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9119    7.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5510    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2894    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2927    0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3514    8.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9134    9.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    7.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    7.7247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6894    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7092    8.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3860    9.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883   10.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8594   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2586   11.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5667   10.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    6.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7261   12.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  1  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  1  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 27  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 32 25  1  0  0  0  0
 27 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  1  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  2  0  0  0  0
 38 43  1  0  0  0  0
 38 44  1  0  0  0  0
 39 43  2  0  0  0  0
 40 45  2  0  0  0  0
 40 46  1  0  0  0  0
 43 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  2  0  0  0  0
 48 50  2  0  0  0  0
 48 51  1  0  0  0  0
 49 50  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C36H30O16

>  <MolWeight> (102)
718.6138

>  <Cat> (102)
S4735

>  <Name> (102)
Salvianolic acid B

>  <Synonyms> (102)
Lithospermate B

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <CAS> (102)
121521-90-2

>  <URL> (102)
http://www.selleckchem.com/products/salvianolic-acid-b.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/09261916232D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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
    3.6373    4.2000    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    1.4000    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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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    0.0000    0.0000 O   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
    6.0622    4.2000    0.0000 O   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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C11H8O3

>  <MolWeight> (103)
188.17942

>  <Cat> (103)
S3661

>  <Name> (103)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (103)
N/A

>  <Target> (103)
PKC

>  <Form> (103)
free base

>  <CAS> (103)
2348-82-5

>  <URL> (103)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/09261916232D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C19H20O5

>  <MolWeight> (104)
328.3591

>  <Cat> (104)
S3819

>  <Name> (104)
Decursinol angelate

>  <Synonyms> (104)
N/A

>  <Target> (104)
PKC

>  <Form> (104)
free base

>  <CAS> (104)
130848-06-5

>  <URL> (104)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S4800 Daminozide.cdx
csChFnd80/09261916232D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    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
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    7.2746    2.1000    0.0000 N   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
    8.4870    1.4000    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
    0.0000    2.1000    0.0000 O   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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C6H12N2O3

>  <MolWeight> (105)
160.17108

>  <Cat> (105)
S4800

>  <Name> (105)
Daminozide

>  <Synonyms> (105)
Aminozide, Succinic Acid

>  <Target> (105)
PHF8,KDM2A 

>  <Form> (105)
free base

>  <CAS> (105)
1596-84-5

>  <URL> (105)
http://www.selleckchem.com/products/daminozide.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/09261916232D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298    0.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5333    7.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5 41  1  6  0  0  0
 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  1  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C32H40O8

>  <MolWeight> (106)
552.6552

>  <Cat> (106)
S3832

>  <Name> (106)
Euphorbiasteroid

>  <Synonyms> (106)
Euphorbia factor L1

>  <Target> (106)
Others

>  <Form> (106)
free base

>  <CAS> (106)
28649-59-4

>  <URL> (106)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
Sodium valproate.cdx
csChFnd80/09261916232D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C8H15NaO2

>  <MolWeight> (107)
166.19327

>  <Cat> (107)
S1168

>  <Name> (107)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (107)
N/A 

>  <Target> (107)
GABA Receptor, HDAC

>  <CAS> (107)
1069-66-5, 99-66-1 (FREE BASE)

>  <URL> (107)
http://www.selleckchem.com/products/Sodium-valproate.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/09261916232D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    7.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2309    7.5316    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    8.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4677    9.7845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    8.4262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1226    7.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5101    7.0058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    8.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    7.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934    9.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536   10.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650   10.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162    9.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    8.8724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7283    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5283    1.4000    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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C19H19ClN6O4S3

>  <MolWeight> (108)
527.03996

>  <Cat> (108)
S1154

>  <Name> (108)
SNS-314 Mesylate

>  <Synonyms> (108)
N/A

>  <Target> (108)
Aurora Kinase

>  <Form> (108)
Mesylate

>  <CAS> (108)
1146618-41-8

>  <URL> (108)
http://www.selleckchem.com/products/SNS-314.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/09261916232D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4641    2.6922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.5249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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1316214-52-4

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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C24H28ClN5O2

>  <MolWeight> (113)
453.96442

>  <Cat> (113)
S7070

>  <Name> (113)
GSK J4 HCl

>  <Synonyms> (113)
N/A

>  <Target> (113)
Histone Demethylase

>  <Form> (113)
Hydrochloride

>  <CAS> (113)
1373423-53-0(free base)

>  <URL> (113)
http://www.selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
csChFnd80/09261916232D

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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C9H12N2O5

>  <MolWeight> (114)
228.20198

>  <Cat> (114)
S7113

>  <Name> (114)
Zebularine

>  <Synonyms> (114)
N/A

>  <Target> (114)
DNA Methyltransferase

>  <Form> (114)
Free Base

>  <CAS> (114)
654065

>  <URL> (114)
https://www.selleckchem.com/products/zebularine.html

$$$$
AZD 2461.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C22H22FN3O3

>  <MolWeight> (115)
395.4267832

>  <Cat> (115)
S7029

>  <Name> (115)
AZD2461

>  <Synonyms> (115)
N/A

>  <Target> (115)
PARP

>  <Form> (115)
Free Base

>  <CAS> (115)
1174043-16-3

>  <URL> (115)
https://www.selleckchem.com/products/azd2461.html

$$$$
CCT129202.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C23H25ClN8OS

>  <MolWeight> (116)
497.0156

>  <Cat> (116)
S1519

>  <Name> (116)
CCT129202

>  <Synonyms> (116)
N/A

>  <Target> (116)
Aurora Kinase

>  <Form> (116)
Free Base

>  <CAS> (116)
942947-93-5

>  <URL> (116)
http://www.selleckchem.com/products/CCT129202.html

$$$$
Sodium butyrate.cdx
csChFnd80/09261916232D

  7  5  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C4H7NaO2

>  <MolWeight> (117)
110.08695

>  <Cat> (117)
S1999

>  <Name> (117)
Sodium butyrate

>  <Synonyms> (117)
Butyric acid sodium salt

>  <Target> (117)
HDAC

>  <Form> (117)
Sodium Salt

>  <CAS> (117)
156-54-7

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

$$$$
CCT137690.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C26H31BrN8O

>  <MolWeight> (118)
551.48134

>  <Cat> (118)
S2744

>  <Name> (118)
CCT137690

>  <Synonyms> (118)
N/A

>  <Target> (118)
Aurora Kinase

>  <Form> (118)
Free Base

>  <CAS> (118)
1095382-05-0

>  <URL> (118)
http://www.selleckchem.com/products/cct137690.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C18H18N2O4

>  <MolWeight> (119)
326.34652

>  <Cat> (119)
S8043

>  <Name> (119)
Scriptaid 

>  <Synonyms> (119)
Scriptide, GCK 1026

>  <Target> (119)
HDAC

>  <Form> (119)
Free Base

>  <CAS> (119)
287383-59-9

>  <URL> (119)
https://www.selleckchem.com/products/scriptaid.html

$$$$
EPZ004777.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C28H41N7O4

>  <MolWeight> (120)
539.66964

>  <Cat> (120)
S7353

>  <Name> (120)
EPZ004777

>  <Synonyms> (120)
N/A

>  <Target> (120)
Histone Methyltransferase

>  <Form> (120)
Free Base

>  <CAS> (120)
1338466-77-5

>  <URL> (120)
https://www.selleckchem.com/products/epz004777.html

$$$$
Bromosporine.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C17H20N6O4S

>  <MolWeight> (121)
404.4435

>  <Cat> (121)
S7233

>  <Name> (121)
Bromosporine

>  <Synonyms> (121)
N/A

>  <Target> (121)
Epigenetic Reader Domain

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/bromosporine.html

$$$$
EPZ005687.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (122)
122

>  <Formula> (122)
C32H37N5O3

>  <MolWeight> (122)
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S7004

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EPZ005687

>  <Synonyms> (122)
N/A

>  <Target> (122)
Histone Methyltransferase

>  <Form> (122)
Free Base

>  <CAS> (122)
1396772-26-1

>  <URL> (122)
http://www.selleckchem.com/products/epz005687.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/09261916232D

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>  <Mol_ID> (123)
123

>  <Formula> (123)
C22H22ClN5O2

>  <MolWeight> (123)
423.89538

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S7189

>  <Name> (123)
I-BET-762

>  <Synonyms> (123)
GSK525762, GSK525762A

>  <Target> (123)
Epigenetic Reader Domain

>  <Form> (123)
Free Base

>  <CAS> (123)
1260907-17-2

>  <URL> (123)
http://www.selleckchem.com/products/i-bet-762.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/09261916232D

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>  <Mol_ID> (124)
124

>  <Formula> (124)
C16H10BrN3O2

>  <MolWeight> (124)
356.1735

>  <Cat> (124)
S7198

>  <Name> (124)
BIO

>  <Synonyms> (124)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (124)
GSK-3

>  <Form> (124)
Free Base

>  <CAS> (124)
667463-62-9

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

$$$$
RGFP966.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C21H19FN4O

>  <MolWeight> (125)
362.4001632

>  <Cat> (125)
S7229

>  <Name> (125)
RGFP966

>  <Synonyms> (125)
N/A

>  <Target> (125)
HDAC

>  <Form> (125)
Free Base

>  <CAS> (125)
1396841-57-8

>  <URL> (125)
http://www.selleckchem.com/products/rgfp966.html

$$$$
ZM39923 HCl.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (126)
126

>  <Formula> (126)
C23H26ClNO

>  <MolWeight> (126)
367.91164

>  <Cat> (126)
S8004

>  <Name> (126)
ZM 39923 HCl

>  <Synonyms> (126)
N/A

>  <Target> (126)
JAK

>  <Form> (126)
HCl

>  <CAS> (126)
1021868-92-7

>  <URL> (126)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
SGC 0946.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C28H40BrN7O4

>  <MolWeight> (127)
618.5657

>  <Cat> (127)
S7079

>  <Name> (127)
SGC 0946

>  <Synonyms> (127)
N/A

>  <Target> (127)
Histone Methyltransferase

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (128)
128

>  <Formula> (128)
C26H27N5O5S2

>  <MolWeight> (128)
553.65308

>  <Cat> (128)
S7207

>  <Name> (128)
Ro 31-8220 Mesylate

>  <Synonyms> (128)
Bisindolylmaleimide IX Mesylate

>  <Target> (128)
PKC

>  <Form> (128)
Mesylate

>  <CAS> (128)
138489-18-6

>  <URL> (128)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
SGI-1027.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C27H23N7O

>  <MolWeight> (129)
461.51782

>  <Cat> (129)
S7276

>  <Name> (129)
SGI-1027

>  <Synonyms> (129)
DNA Methyltransferase Inhibitor II

>  <Target> (129)
DNA Methyltransferase

>  <Form> (129)
Free Base

>  <CAS> (129)
1020149-73-8

>  <URL> (129)
http://www.selleckchem.com/products/sgi-1027.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C24H27Cl2N5O

>  <MolWeight> (130)
472.41008

>  <Cat> (130)
S7306

>  <Name> (130)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (130)
BML-275,Compound C

>  <Target> (130)
AMPK

>  <Form> (130)
Dihydrochloride

>  <CAS> (130)
1219168-18-9

>  <URL> (130)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C34H44N4O4

>  <MolWeight> (131)
572.73756

>  <Cat> (131)
S7128

>  <Name> (131)
Tazemetostat (EPZ-6438)

>  <Synonyms> (131)
E7438

>  <Target> (131)
Histone Methyltransferase

>  <Form> (131)
Free Base

>  <CAS> (131)
1403254-99-8

>  <URL> (131)
http://www.selleckchem.com/products/epz-6438.html

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C20H22N2O5

>  <MolWeight> (132)
370.39908

>  <Cat> (132)
S7295

>  <Name> (132)
RVX-208(RVX-000222)

>  <Synonyms> (132)
RVX-000222

>  <Target> (132)
Epigenetic Reader Domain

>  <Form> (132)
Free Base

>  <CAS> (132)
1044870-39-4

>  <URL> (132)
http://www.selleckchem.com/products/rvx-208.html

$$$$
XL019.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (133)
133

>  <Formula> (133)
C25H28N6O2

>  <MolWeight> (133)
444.52882

>  <Cat> (133)
S7036

>  <Name> (133)
XL019

>  <Synonyms> (133)
N/A

>  <Target> (133)
JAK

>  <Form> (133)
Free Base

>  <CAS> (133)
945755-56-6

>  <URL> (133)
http://www.selleckchem.com/products/xl019.html

$$$$
UNC1999.cdx
csChFnd80/09261916232D

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Histone Methyltransferase

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Free Base

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1431612-23-5

>  <URL> (134)
http://www.selleckchem.com/products/unc1999.html

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Histone demethylases

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Free Base

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199596-05-9

>  <URL> (135)
http://www.selleckchem.com/products/jib-04.html

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HMTase Inhibitor IX

>  <Target> (136)
Histone Methyltransferase

>  <Form> (136)
Free Base

>  <CAS> (136)
1417329-24-8

>  <URL> (136)
http://www.selleckchem.com/products/mm-102.html

$$$$
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JAK

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937272-79-2

>  <URL> (137)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
RG2833 (RGFP109).cdx
csChFnd80/09261916232D

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C20H25N3O2

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RG2833 (RGFP109)

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N/A

>  <Target> (138)
HDAC

>  <Form> (138)
Free Base

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1215493-56-3

>  <URL> (138)
http://www.selleckchem.com/products/rg2833-rgfp109.html

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WZ4003.cdx
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>  <Mol_ID> (139)
139

>  <Formula> (139)
C25H29ClN6O3

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>  <Name> (139)
WZ4003

>  <Synonyms> (139)
N/A

>  <Target> (139)
AMPK

>  <Form> (139)
Free Base

>  <CAS> (139)
1214265-58-3

>  <URL> (139)
http://www.selleckchem.com/products/wz4003.html

$$$$
SGC-CBP30.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (140)
140

>  <Formula> (140)
C28H33ClN4O3

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SGC-CBP30

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N/A

>  <Target> (140)
Epigenetic Reader Domain

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/sgc-cbp30.html

$$$$
MK8745.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (141)
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Aurora Kinase

>  <Form> (141)
Free Base

>  <CAS> (141)
885325-71-3

>  <URL> (141)
http://www.selleckchem.com/products/mk-8745.html

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csChFnd80/09261916232D

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1445251-22-8

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http://www.selleckchem.com/products/me0328.html

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Epigenetic Reader Domain

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Free Base

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1314241-44-5

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http://www.selleckchem.com/products/unc669.html

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BET

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Free Base

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202590-98-5

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http://www.selleckchem.com/products/otx015.html

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>  <URL> (145)
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$$$$
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>  <CAS> (146)
89464-63-1

>  <URL> (146)
http://www.selleckchem.com/products/dmog.html

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Histone demethylases

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1357302-64-7

>  <URL> (147)
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Histone Acetyltransferase

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Free Base

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328968-36-1

>  <URL> (148)
http://www.selleckchem.com/products/c646.html

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>  <URL> (149)
http://www.selleckchem.com/products/nuc1215.html

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5852-78-8

>  <URL> (150)
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>  <Formula> (152)
C26H25Cl2N3O3

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CX-6258 HCl

>  <Synonyms> (152)
N/A

>  <Target> (152)
Pim

>  <Form> (152)
Hydrochloride

>  <CAS> (152)
1353859-00-3

>  <URL> (152)
http://www.selleckchem.com/products/CX-6258.html

$$$$
CPI203 .cdx
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>  <Mol_ID> (153)
153

>  <Formula> (153)
C19H18ClN5OS

>  <MolWeight> (153)
399.89712

>  <Cat> (153)
S7304

>  <Name> (153)
CPI-203

>  <Synonyms> (153)
N/A

>  <Target> (153)
Epigenetic Reader Domain

>  <Form> (153)
Free Base

>  <CAS> (153)
1446144-04-2

>  <URL> (153)
http://www.selleckchem.com/products/cpi-203.html

$$$$
TMP269.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (154)
154

>  <Formula> (154)
C25H21F3N4O3S

>  <MolWeight> (154)
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TMP269

>  <Synonyms> (154)
N/A

>  <Target> (154)
HDAC

>  <Form> (154)
Free Base

>  <CAS> (154)
1314890-29-3

>  <URL> (154)
http://www.selleckchem.com/products/tmp269.html

$$$$
MG149.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (155)
155

>  <Formula> (155)
C22H28O3

>  <MolWeight> (155)
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>  <Cat> (155)
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>  <Name> (155)
MG149

>  <Synonyms> (155)
N/A

>  <Target> (155)
Histone Acetyltransferase

>  <Form> (155)
Free Base

>  <CAS> (155)
1243583-85-8

>  <URL> (155)
http://www.selleckchem.com/products/mg149.html

$$$$
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
  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  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 10  1  0  0  0  0
 11 16  1  1  0  0  0
 14 16  1  1  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
 13 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 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C19H19N3O2

>  <MolWeight> (160)
321.37306

>  <Cat> (160)
S7315

>  <Name> (160)
PFI-3

>  <Synonyms> (160)
N/A

>  <Target> (160)
Epigenetic Reader Domain

>  <Form> (160)
Free Base

>  <URL> (160)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Tasquinimod .cdx
csChFnd80/09261916232D

 29 31  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    1.4000    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
    4.8497    3.5000    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
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   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    2.1000    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
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    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
   13.3368    7.0000    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  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 19  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C20H17F3N2O4

>  <MolWeight> (161)
406.3551896

>  <Cat> (161)
S7617

>  <Name> (161)
Tasquinimod

>  <Synonyms> (161)
ABR-215050

>  <Target> (161)
HDAC

>  <Form> (161)
Free Base

>  <CAS> (161)
254964-60-8

>  <URL> (161)
http://www.selleckchem.com/products/tasquinimod.html

$$$$
AGK 2.cdx
csChFnd80/09261916232D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.8229    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    3.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8451    3.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    4.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5427    4.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9382    4.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6294    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    7.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206    7.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8294    6.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6471    3.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0470    3.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7382    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0297    6.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4297    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6699    3.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1903    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1150    5.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2733    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214    5.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    6.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814    7.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293    4.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685    3.0479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8529    8.5627    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
  3  4  3  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  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
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 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  9  1  0  0  0  0
  1 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C23H13Cl2N3O2

>  <MolWeight> (162)
434.27422

>  <Cat> (162)
S7577

>  <Name> (162)
AGK2

>  <Synonyms> (162)
N/A

>  <Target> (162)
Sirtuin

>  <Form> (162)
Free Base

>  <CAS> (162)
304896-28-4

>  <URL> (162)
http://www.selleckchem.com/products/agk2.html

$$$$
Anacardic Acid.cdx
csChFnd80/09261916232D

 25 25  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
    1.2124    4.2000    0.0000 O   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 O   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
    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
    7.2746    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
    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    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
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 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 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C22H36O3

>  <MolWeight> (163)
348.51944

>  <Cat> (163)
S7582

>  <Name> (163)
Anacardic Acid

>  <Synonyms> (163)
6-pentadecylsalicylic Acid

>  <Target> (163)
Histone Acetyltransferase

>  <Form> (163)
Free Base

>  <CAS> (163)
16611-84-0

>  <URL> (163)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
Splitomicin.cdx
csChFnd80/09261916232D

 15 17  0  0  0  0  0  0  0  0999 V2000
    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
    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
    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
    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
    1.2124    2.8000    0.0000 O   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
  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
  6 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  1  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C13H10O2

>  <MolWeight> (164)
198.2173

>  <Cat> (164)
S7593

>  <Name> (164)
Splitomicin

>  <Synonyms> (164)
N/A

>  <Target> (164)
Sirtuin

>  <Form> (164)
Free Base

>  <CAS> (164)
1384339

>  <URL> (164)
http://www.selleckchem.com/products/splitomicin.html

$$$$
PFI-2.cdx
csChFnd80/09261916232D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C23H25F4N3O3S

>  <MolWeight> (165)
499.5215128

>  <Cat> (165)
S7294

>  <Name> (165)
PFI-2 HCl

>  <Synonyms> (165)
N/A

>  <Target> (165)
Histone Methyltransferase

>  <Form> (165)
Hydrochloride

>  <CAS> (165)
1627676-59-8

>  <URL> (165)
http://www.selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C18H25N5S2

>  <MolWeight> (166)
375.5546

>  <Cat> (166)
S7619

>  <Name> (166)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (166)
N/A

>  <Target> (166)
Histone Methyltransferase

>  <Form> (166)
Free Base

>  <CAS> (166)
1271738-59-0

>  <URL> (166)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
Remodelin.cdx
csChFnd80/09261916232D

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M  CFW  16 B_NG_STER 2
M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C15H15BrN4S

>  <MolWeight> (167)
363.2754

>  <Cat> (167)
S7641

>  <Name> (167)
Remodelin

>  <Synonyms> (167)
N/A

>  <Target> (167)
Histone Acetyltransferase

>  <Form> (167)
hydrochloride salt

>  <CAS> (167)
1622921-15-6

>  <URL> (167)
http://www.selleckchem.com/products/remodelin.html

$$$$
GF 109203X(G 6850).cdx
csChFnd80/09261916232D

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>  <Mol_ID> (168)
168

>  <Formula> (168)
C25H24N4O2

>  <MolWeight> (168)
412.48366

>  <Cat> (168)
S7208

>  <Name> (168)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (168)
GO 6850

>  <Target> (168)
PKC

>  <Form> (168)
Free Base

>  <CAS> (168)
133052-90-1

>  <URL> (168)
http://www.selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C17H18ClN3O2

>  <MolWeight> (169)
331.79672

>  <Cat> (169)
S7300

>  <Name> (169)
PJ34 hcl

>  <Synonyms> (169)
N/A

>  <Target> (169)
PARP

>  <Form> (169)
Hydrochloride

>  <CAS> (169)
344458-15-7

>  <URL> (169)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/09261916232D

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Cerdulatinib (PRT062070, PRT2070)

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N/A

>  <Target> (170)
JAK

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Hydrochloride

>  <CAS> (170)
1369761-01-2

>  <URL> (170)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/09261916232D

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MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (171)
N/A

>  <Target> (171)
Histone Methyltransferase

>  <Form> (171)
Free Base

>  <CAS> (171)
1271738-62-5

>  <URL> (171)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
SP2509.cdx
csChFnd80/09261916232D

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SP2509

>  <Synonyms> (172)
N/A

>  <Target> (172)
Histone Demethylase

>  <Form> (172)
Free Base

>  <CAS> (172)
1423715-09-6

>  <URL> (172)
http://www.selleckchem.com/products/sp2509.html

$$$$
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csChFnd80/09261916232D

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>  <Synonyms> (173)
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>  <Target> (173)
Epigenetic Reader Domain

>  <Form> (173)
Free Base

>  <CAS> (173)
1300031-52-0

>  <URL> (173)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

$$$$
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M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C23H26N4O2

>  <MolWeight> (174)
390.47814

>  <Cat> (174)
S7611

>  <Name> (174)
EI1

>  <Synonyms> (174)
N/A

>  <Target> (174)
Histone Methyltransferase

>  <Form> (174)
Free Base

>  <CAS> (174)
1418308-27-6

>  <URL> (174)
http://www.selleckchem.com/products/ei1.html

$$$$
BRD4770.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (175)
175

>  <Formula> (175)
C25H23N3O3

>  <MolWeight> (175)
413.46842

>  <Cat> (175)
S7591

>  <Name> (175)
BRD4770

>  <Synonyms> (175)
N/A

>  <Target> (175)
Histone Methyltransferase

>  <Form> (175)
Free Base

>  <CAS> (175)
1374601-40-7

>  <URL> (175)
http://www.selleckchem.com/products/brd4770.html

$$$$
PX-478 2HCl.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C13H20Cl4N2O3

>  <MolWeight> (176)
394.1215

>  <Cat> (176)
S7612

>  <Name> (176)
PX-478 2HCl

>  <Synonyms> (176)
N/A

>  <Target> (176)
HIF

>  <Form> (176)
Dihydrochlorid

>  <CAS> (176)
685898-44-6

>  <URL> (176)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
Reversine.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C21H27N7O

>  <MolWeight> (177)
393.48538

>  <Cat> (177)
S7588

>  <Name> (177)
Reversine

>  <Synonyms> (177)
N/A

>  <Target> (177)
Adenosine Receptor

>  <Form> (177)
Free Base

>  <CAS> (177)
656820-32-5

>  <URL> (177)
http://www.selleckchem.com/products/reversine.html

$$$$
CAY10603.cdx
csChFnd80/09261916232D

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http://www.selleckchem.com/products/cay10603.html

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1418033-25-6

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http://www.selleckchem.com/products/lmk-235.html

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1395084-25-9

>  <URL> (180)
http://www.selleckchem.com/products/ms436.html

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1429651-50-2

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http://www.selleckchem.com/products/hpob.html

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1222800-79-4

>  <URL> (182)
http://www.selleckchem.com/products/ml324.html

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>  <Mol_ID> (183)
183

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HDAC

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Free Base

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910462-43-0

>  <URL> (183)
http://www.selleckchem.com/products/4sc-202.html

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>  <Mol_ID> (184)
184

>  <Formula> (184)
C17H18BrN3O4S

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OF-1

>  <Synonyms> (184)
N/A

>  <Target> (184)
Epigenetic Reader Domain

>  <Form> (184)
Free Base

>  <CAS> (184)
919973-83-4

>  <URL> (184)
http://www.selleckchem.com/products/of-1.html

$$$$
UNC0379.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (185)
185

>  <Formula> (185)
C23H35N5O2

>  <MolWeight> (185)
413.5563

>  <Cat> (185)
S7570

>  <Name> (185)
UNC0379

>  <Synonyms> (185)
N/A

>  <Target> (185)
Histone Methyltransferase

>  <Form> (185)
Free Base

>  <CAS> (185)
1620401-82-2

>  <URL> (185)
http://www.selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (186)
186

>  <Formula> (186)
C14H22Cl2N2

>  <MolWeight> (186)
289.24388

>  <Cat> (186)
S7574

>  <Name> (186)
GSK-LSD1 2HCl

>  <Synonyms> (186)
N/A

>  <Target> (186)
Histone Demethylase

>  <Form> (186)
Dihydrochloride

>  <CAS> (186)
1431368-48-7

>  <URL> (186)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/09261916232D

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Histone Methyltransferase

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1346574-57-9

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http://www.selleckchem.com/products/gsk126.html

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Histone Methyltransferase

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1616391-65-1

>  <URL> (188)
http://www.selleckchem.com/products/epz015666.html

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Sirtuin

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1093403-33-8

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HDAC

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M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C24H25N5O

>  <MolWeight> (196)
399.4882

>  <Cat> (196)
S7840

>  <Name> (196)
Dorsomorphin (Compound C)

>  <Synonyms> (196)
Compound C, BML-275

>  <Target> (196)
AMPK

>  <Form> (196)
Free Base

>  <CAS> (196)
866405-64-3

>  <URL> (196)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
CPI-169.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C27H36N4O5S

>  <MolWeight> (197)
528.66354

>  <Cat> (197)
S7616

>  <Name> (197)
CPI-169

>  <Synonyms> (197)
N/A

>  <Target> (197)
Histone Methyltransferase

>  <Form> (197)
Free Base

>  <CAS> (197)
1450655-76-1

>  <URL> (197)
http://www.selleckchem.com/products/cpi-169.html

$$$$
BI-847325.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C29H28N4O2

>  <MolWeight> (198)
464.55822

>  <Cat> (198)
S7843

>  <Name> (198)
BI-847325

>  <Synonyms> (198)
N/A

>  <Target> (198)
MEK

>  <Form> (198)
Free Base

>  <CAS> (198)
1207293-36-4

>  <URL> (198)
http://www.selleckchem.com/products/bi-847325.html

$$$$
AMI-1.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C21H14N2Na2O9S2

>  <MolWeight> (199)
548.4534

>  <Cat> (199)
S7884

>  <Name> (199)
AMI-1

>  <Synonyms> (199)
N/A

>  <Target> (199)
Histone Methyltransferase

>  <Form> (199)
disodium salt

>  <CAS> (199)
20324-87-2

>  <URL> (199)
http://www.selleckchem.com/products/ami-1.html

$$$$
G007-LK.cdx
csChFnd80/09261916232D

 37 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (200)
200

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C25H16ClN7O3S

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529.95764

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S7239

>  <Name> (200)
G007-LK

>  <Synonyms> (200)
N/A

>  <Target> (200)
PARP

>  <Form> (200)
Free Base

>  <CAS> (200)
1380672-07-0

>  <URL> (200)
http://www.selleckchem.com/products/g007-lk.html

$$$$
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csChFnd80/09261916232D

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>  <Mol_ID> (201)
201

>  <Formula> (201)
C31H38N6O2

>  <MolWeight> (201)
526.67242

>  <Cat> (201)
S7804

>  <Name> (201)
GSK503

>  <Synonyms> (201)
N/A

>  <Target> (201)
Histone Methyltransferase

>  <Form> (201)
Free Base

>  <CAS> (201)
1346572-63-1

>  <URL> (201)
http://www.selleckchem.com/products/gsk503.html

$$$$
FLLL32.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (202)
202

>  <Formula> (202)
C28H32O6

>  <MolWeight> (202)
464.55008

>  <Cat> (202)
S7259

>  <Name> (202)
FLLL32

>  <Synonyms> (202)
N/A

>  <Target> (202)
JAK

>  <Form> (202)
Free Base

>  <CAS> (202)
1226895-15-3

>  <URL> (202)
http://www.selleckchem.com/products/flll32.html

$$$$
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csChFnd80/09261916232D

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1619994-68-1

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http://www.selleckchem.com/products/gsk2801.html

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M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C18H22N4O2

>  <MolWeight> (208)
326.39288

>  <Cat> (208)
S7650

>  <Name> (208)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (208)
N/A

>  <Target> (208)
JAK

>  <Form> (208)
Free Base

>  <CAS> (208)
944118-01-8

>  <URL> (208)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
GSK621.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C26H20ClN3O5

>  <MolWeight> (209)
489.9071

>  <Cat> (209)
S7898

>  <Name> (209)
GSK621

>  <Synonyms> (209)
N/A

>  <Target> (209)
AMPK

>  <Form> (209)
Free Base

>  <CAS> (209)
1346607-05-3

>  <URL> (209)
http://www.selleckchem.com/products/gsk621.html

$$$$
ORY-1001.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C15H24Cl2N2

>  <MolWeight> (210)
303.27046

>  <Cat> (210)
S7795

>  <Name> (210)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (210)
N/A

>  <Target> (210)
Histone Demethylase

>  <Form> (210)
Dihydrochloride

>  <CAS> (210)
1431326-61-2

>  <URL> (210)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C18H19F3N6O

>  <MolWeight> (211)
392.3782696

>  <Cat> (211)
S7541

>  <Name> (211)
Decernotinib (VX-509)

>  <Synonyms> (211)
N/A

>  <Target> (211)
JAK

>  <Form> (211)
Free Base

>  <CAS> (211)
944842-54-0

>  <URL> (211)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
NVP-TNKS656.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C27H34N4O5

>  <MolWeight> (212)
494.58266

>  <Cat> (212)
S7238

>  <Name> (212)
NVP-TNKS656

>  <Synonyms> (212)
N/A

>  <Target> (212)
PARP

>  <Form> (212)
Free Base

>  <CAS> (212)
1419949-20-4

>  <URL> (212)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
FG-2216.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C12H9ClN2O4

>  <MolWeight> (213)
280.66386

>  <Cat> (213)
S7979

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FG-2216

>  <Synonyms> (213)
N/A

>  <Target> (213)
HIF

>  <Form> (213)
Free Base

>  <CAS> (213)
223387-75-5

>  <URL> (213)
http://www.selleckchem.com/products/fg-2216.html

$$$$
SGC707.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C16H18N4O2

>  <MolWeight> (214)
298.33972

>  <Cat> (214)
S7832

>  <Name> (214)
SGC707

>  <Synonyms> (214)
N/A

>  <Target> (214)
Histone Methyltransferase

>  <Form> (214)
Free Base

>  <CAS> (214)
1687736-54-4

>  <URL> (214)
http://www.selleckchem.com/products/sgc707.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C13H14N8O2

>  <MolWeight> (215)
314.30266

>  <Cat> (215)
S8138

>  <Name> (215)
Molidustat(BAY 85-3934)

>  <Synonyms> (215)
N/A

>  <Target> (215)
HIF

>  <Form> (215)
Free Base

>  <CAS> (215)
1154028-82-6

>  <URL> (215)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
GSK2879552.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (216)
216

>  <Formula> (216)
C23H30Cl2N2O2

>  <MolWeight> (216)
437.4025

>  <Cat> (216)
S7796

>  <Name> (216)
GSK2879552 2HCl

>  <Synonyms> (216)
N/A

>  <Target> (216)
Histone Demethylase

>  <Form> (216)
Dihydrochloride

>  <CAS> (216)
1401966-69-5

>  <URL> (216)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C19H27N3O6

>  <MolWeight> (217)
393.43418

>  <Cat> (217)
S8171

>  <Name> (217)
Daprodustat (GSK1278863)

>  <Synonyms> (217)
N/A

>  <Target> (217)
HIF

>  <Form> (217)
Free Base

>  <CAS> (217)
960539-70-2

>  <URL> (217)
http://www.selleckchem.com/products/daprodustat.html

$$$$
MS023.cdx
csChFnd80/09261916232D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C17H25N3O

>  <MolWeight> (218)
287.3999

>  <Cat> (218)
S8112

>  <Name> (218)
MS023

>  <Synonyms> (218)
N/A

>  <Target> (218)
Histone Methyltransferase

>  <Form> (218)
Free Base

>  <CAS> (218)
1831110-54-3

>  <URL> (218)
http://www.selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C30H28N6O6S4

>  <MolWeight> (219)
696.83992

>  <Cat> (219)
S8068

>  <Name> (219)
Chaetocin

>  <Synonyms> (219)
N/A

>  <Target> (219)
Histone Methyltransferase

>  <Form> (219)
Free Base

>  <CAS> (219)
28097-03-2

>  <URL> (219)
http://www.selleckchem.com/products/chaetocin.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/09261916232D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C19H27N5O6S

>  <MolWeight> (220)
453.51258

>  <Cat> (220)
S8195

>  <Name> (220)
Oclacitinib maleate

>  <Synonyms> (220)
PF-03394197

>  <Target> (220)
JAK

>  <Form> (220)
Free Base

>  <CAS> (220)
1640292-55-2

>  <URL> (220)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
PF-CBP1.cdx
csChFnd80/09261916232D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
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 30 21  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C29H37ClN4O3

>  <MolWeight> (221)
525.08208

>  <Cat> (221)
S8180

>  <Name> (221)
PF-CBP1 HCL

>  <Synonyms> (221)
N/A

>  <Target> (221)
Epigenetic Reader Domain

>  <Form> (221)
Hydrochloride

>  <URL> (221)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/09261916232D

 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
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 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C22H28N4O2

>  <MolWeight> (222)
380.48332

>  <Cat> (222)
S8111

>  <Name> (222)
GSK591 (EPZ015866,GSK3203591)

>  <Synonyms> (222)
EPZ015866, GSK3203591

>  <Target> (222)
Histone Methyltransferase

>  <Form> (222)
Free Base

>  <CAS> (222)
1616391-87-7

>  <URL> (222)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
HLCL-61.cdx
csChFnd80/09261916232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C23H25ClN2O

>  <MolWeight> (223)
380.9104

>  <Cat> (223)
S8209

>  <Name> (223)
HLCL-61 hydrochloride

>  <Synonyms> (223)
HLCL61

>  <Target> (223)
Histone Methyltransferase

>  <Form> (223)
Hydrochloride

>  <CAS> (223)
1158279-20-9

>  <URL> (223)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
I-BRD9 (GSK602).cdx
csChFnd80/09261916232D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  2  0  0  0  0
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 15  9  1  0  0  0  0
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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C22H22F3N3O3S2

>  <MolWeight> (224)
497.5535896

>  <Cat> (224)
S7835

>  <Name> (224)
I-BRD9 (GSK602)

>  <Synonyms> (224)
GSK602

>  <Target> (224)
Epigenetic Reader Domain

>  <Form> (224)
Free Base

>  <CAS> (224)
1714146-59-4

>  <URL> (224)
http://www.selleckchem.com/products/i-brd9-gsk602.html

$$$$
ETC-1002.cdx
csChFnd80/09261916232D

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Bempedoic acid|ESP-55016

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AMPK

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Free Base

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738606-46-7

>  <URL> (225)
http://www.selleckchem.com/products/etc-1002.html

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BI-7273

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N/A

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Epigenetic Reader Domain

>  <Form> (226)
Free Base

>  <CAS> (226)
1883429-21-7

>  <URL> (226)
http://www.selleckchem.com/products/bi-7273.html

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MI-136

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Androgen Receptor

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Free Base

>  <CAS> (227)
1628316-74-4

>  <URL> (227)
http://www.selleckchem.com/products/mi-136.html

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Histone Methyltransferase

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>  <CAS> (228)
1527503-11-2

>  <URL> (228)
http://www.selleckchem.com/products/a-366.html

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Niraparib tosylate, MK 4827 tosylate

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PARP

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4-?methylbenzen

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1038915-73-9

>  <URL> (229)
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HDAC

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Free Base

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200626-61-5

>  <URL> (230)
http://www.selleckchem.com/products/itsa-1-itsa1.html

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LY333531 HCl

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Ruboxistaurin

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PKC

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hydrochloride

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169939-93-9

>  <URL> (231)
http://www.selleckchem.com/products/ly333531.html

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1883429-22-8

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http://www.selleckchem.com/products/bi-9564.html

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LLY-507

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N/A

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Histone Methyltransferase

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Free Base

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1793053-37-8

>  <URL> (234)
http://www.selleckchem.com/products/lly-507.html

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Xalatan, PhXA41, PHXA-41

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GPR

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Free Base

>  <CAS> (235)
130209-82-4

>  <URL> (235)
http://www.selleckchem.com/products/latanoprost.html

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CPI-637

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N/A

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Epigenetic Reader Domain

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Free Base

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1884712-47-3

>  <URL> (236)
http://www.selleckchem.com/products/cpi-637.html

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M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C29H32F3N5O3

>  <MolWeight> (237)
555.5912896

>  <Cat> (237)
S7833

>  <Name> (237)
OICR-9429

>  <Synonyms> (237)
N/A

>  <Target> (237)
Histone Methyltransferase

>  <Form> (237)
Free Base

>  <CAS> (237)
1801787-56-3

>  <URL> (237)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
CPI-1205.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C27H33F3N4O3

>  <MolWeight> (238)
518.5711296

>  <Cat> (238)
S8353

>  <Name> (238)
CPI-1205

>  <Synonyms> (238)
CPI 1205, CPI1205

>  <Target> (238)
Histone Methyltransferase

>  <Form> (238)
Free Base

>  <CAS> (238)
1621862-70-1

>  <URL> (238)
http://www.selleckchem.com/products/cpi-1205.html

$$$$
BGP-15.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C14H24Cl2N4O2

>  <MolWeight> (239)
351.27196

>  <Cat> (239)
S8370

>  <Name> (239)
BGP-15 2HCl

>  <Synonyms> (239)
N/A

>  <Target> (239)
PARP

>  <Form> (239)
dihydrochloride

>  <CAS> (239)
66611-37-8

>  <URL> (239)
http://www.selleckchem.com/products/bgp-15.html

$$$$
CPI-455.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C16H15ClN4O

>  <MolWeight> (240)
314.7695

>  <Cat> (240)
S8287

>  <Name> (240)
CPI-455 HCl

>  <Synonyms> (240)
N/A

>  <Target> (240)
Histone Demethylase

>  <Form> (240)
hydrochloride

>  <CAS> (240)
1628208-23-0(free base)

>  <URL> (240)
http://www.selleckchem.com/products/cpi-455.html

$$$$
UNC3866.cdx
csChFnd80/09261916232D

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Histone Methyltransferase

>  <Form> (241)
Free Base

>  <CAS> (241)
1872382-47-2

>  <URL> (241)
http://www.selleckchem.com/products/unc3866.html

$$$$
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N/A

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Histone Methyltransferase

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dihydrochloride

>  <CAS> (242)
1502816-23-0(free base)

>  <URL> (242)
http://www.selleckchem.com/products/ms049.html

$$$$
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SRT2183

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N/A

>  <Target> (243)
Sirtuin

>  <Form> (243)
Free Base

>  <CAS> (243)
1001908-89-9

>  <URL> (243)
http://www.selleckchem.com/products/srt2183.html

$$$$
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UNC0638

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Histone Methyltransferase

>  <Form> (244)
Free Base

>  <CAS> (244)
1255580-76-7

>  <URL> (244)
http://www.selleckchem.com/products/unc0638.html

$$$$
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M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C25H40Cl2N4O3

>  <MolWeight> (245)
515.5161

>  <Cat> (245)
S7820

>  <Name> (245)
EPZ020411 2HCl

>  <Synonyms> (245)
N/A

>  <Target> (245)
Histone Methyltransferase

>  <Form> (245)
dihydrochloride

>  <CAS> (245)
1700663-41-7(free base)

>  <URL> (245)
http://www.selleckchem.com/products/epz020411.html

$$$$
MI-463.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (246)
246

>  <Formula> (246)
C24H23F3N6S

>  <MolWeight> (246)
484.5398296

>  <Cat> (246)
S7816

>  <Name> (246)
MI-463

>  <Synonyms> (246)
N/A

>  <Target> (246)
Histone Methyltransferase

>  <Form> (246)
Free Base

>  <CAS> (246)
1628317-18-9

>  <URL> (246)
http://www.selleckchem.com/products/mi-463.html

$$$$
RRx-001.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (247)
247

>  <Formula> (247)
C5H6BrN3O5

>  <MolWeight> (247)
268.02224

>  <Cat> (247)
S8405

>  <Name> (247)
RRx-001

>  <Synonyms> (247)
N/A

>  <Target> (247)
Dehydrogenase

>  <Form> (247)
Free Base

>  <CAS> (247)
925206-65-1

>  <URL> (247)
http://www.selleckchem.com/products/rrx-001.html

$$$$
Thiomyristoyl.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (248)
248

>  <Formula> (248)
C34H51N3O3S

>  <MolWeight> (248)
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>  <Cat> (248)
S8245

>  <Name> (248)
Thiomyristoyl

>  <Synonyms> (248)
TM

>  <Target> (248)
Sirtuin

>  <Form> (248)
Free Base

>  <CAS> (248)
1429749-41-6

>  <URL> (248)
http://www.selleckchem.com/products/thiomyristoyl.html

$$$$
Salermide.cdx
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Sirtuin

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Free Base

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1105698-15-4

>  <URL> (249)
http://www.selleckchem.com/products/salermide.html

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>  <Target> (250)
HIF

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Free Base

>  <CAS> (250)
170632-47-0

>  <URL> (250)
http://www.selleckchem.com/products/lificiguat-yc-1.html

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csChFnd80/09261916232D

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251

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ABBV-075 (Mivebresib)

>  <Synonyms> (251)
N/A

>  <Target> (251)
Epigenetic Reader Domain

>  <Form> (251)
Free Base

>  <CAS> (251)
1445993-26-9

>  <URL> (251)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/09261916232D

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252

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HDAC

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1316215-12-9

>  <URL> (252)
http://www.selleckchem.com/products/citarinostat-acy-241.html

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E7449.cdx
csChFnd80/09261916232D

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1140964-99-3

>  <URL> (253)
http://www.selleckchem.com/products/e7449.html

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1187990-87-9
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1262417-51-5

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1910124-24-1

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hydrochloride

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Epigenetic Reader Domain

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Free Base

>  <CAS> (258)
2083627-02-3

>  <URL> (258)
http://www.selleckchem.com/products/eed226.html

$$$$
BIX01294 3HCl.cdx
csChFnd80/09261916232D

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>  <Synonyms> (259)
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>  <Target> (259)
Histone Methyltransferase

>  <Form> (259)
trihydrochloride

>  <CAS> (259)
1392399-03-9

>  <URL> (259)
http://www.selleckchem.com/products/bix-01294.html

$$$$
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>  <Mol_ID> (260)
260

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>  <Name> (260)
S7983
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A-196

>  <Synonyms> (260)
N/A

>  <Target> (260)
SUV420H1,SUV420H2

>  <Form> (260)
free base

>  <CAS> (260)
1982372-88-2

>  <URL> (260)
http://www.selleckchem.com/products/a-196.html

$$$$
SGC2085.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (261)
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>  <MolWeight> (261)
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>  <Target> (261)
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>  <Form> (261)
free base

>  <CAS> (261)
1821908-48-8

>  <URL> (261)
http://www.selleckchem.com/products/sgc2085.html

$$$$
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1314891-22-9

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1174428-47-7

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http://www.selleckchem.com/products/sf2523.html

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HIF-1¦Á

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free base

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934593-90-5

>  <URL> (264)
http://www.selleckchem.com/products/lw-6.html

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M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C22H21Cl2N3O3

>  <MolWeight> (267)
446.32644

>  <Cat> (267)
S8494

>  <Name> (267)
PF-06726304

>  <Synonyms> (267)
PF-6726304

>  <Target> (267)
Ezh2 (wild-type),EZH2 Y641N

>  <Form> (267)
free base

>  <CAS> (267)
1616287-82-1

>  <URL> (267)
http://www.selleckchem.com/products/pf-06726304.html

$$$$
CP2.cdx
csChFnd80/09261916232D

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AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

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free base

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1467057-23-3

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HDAC6

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1375465-91-0

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272

>  <Formula> (272)
C24H32N6O3

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452.54928

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S8664

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GSK3326595 (EPZ015938)

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N/A

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PRMT5

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free base

>  <CAS> (272)
1616392-22-3

>  <URL> (272)
http://www.selleckchem.com/products/gsk3326595-epz015938.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (273)
273

>  <Formula> (273)
C8H16O2

>  <MolWeight> (273)
144.21144

>  <Cat> (273)
S3944

>  <Name> (273)
Valproic acid

>  <Synonyms> (273)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (273)
HDAC1

>  <Form> (273)
free base

>  <CAS> (273)
99-66-1

>  <URL> (273)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
WT161.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (274)
274

>  <Formula> (274)
C27H30N4O3

>  <MolWeight> (274)
458.5521

>  <Cat> (274)
S8495

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WT161

>  <Synonyms> (274)
N/A

>  <Target> (274)
HDAC1,2,6

>  <Form> (274)
free base

>  <CAS> (274)
1206731-57-8

>  <URL> (274)
http://www.selleckchem.com/products/wt161.html

$$$$
OSS_128167.cdx
csChFnd80/09261916232D

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275

>  <Formula> (275)
C19H14N2O6

>  <MolWeight> (275)
366.32426

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S8627

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OSS-128167

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SIRT6-IN-1

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SIRT6,SIRT1,SIRT2

>  <Form> (275)
free base

>  <CAS> (275)
887686-02-4

>  <URL> (275)
http://www.selleckchem.com/products/oss-128167.html

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LLY-283.cdx
csChFnd80/09261916232D

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LLY-283

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PRMT5

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>  <CAS> (276)
2040291-27-6

>  <URL> (276)
http://www.selleckchem.com/products/lly-283.html

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free base

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1792180-81-4

>  <URL> (277)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
UNC0642.cdx
csChFnd80/09261916232D

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N/A

>  <Target> (278)
G9a,GLP

>  <Form> (278)
free base

>  <CAS> (278)
1481677-78-4

>  <URL> (278)
http://www.selleckchem.com/products/unc0642.html

$$$$
JQ-EZ-05 (JQEZ5).cdx
csChFnd80/09261916232D

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279

>  <Formula> (279)
C30H38N8O2

>  <MolWeight> (279)
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>  <Cat> (279)
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JQ-EZ-05 (JQEZ5)

>  <Synonyms> (279)
N/A

>  <Target> (279)
EZH1,EZH2

>  <Form> (279)
free base

>  <CAS> (279)
1913252-04-6

>  <URL> (279)
http://www.selleckchem.com/products/jq-ez-05-jqez5.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/09261916232D

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Itacitinib (INCB39110)

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N/A

>  <Target> (280)
JAK

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free base

>  <CAS> (280)
1334298-90-6

>  <URL> (280)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
SNS-314.cdx
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1148    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.4623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2309    4.3233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4677    6.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0983    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    5.2179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1226    3.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5101    3.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    2.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    4.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934    5.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536    7.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650    7.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162    6.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    5.6641    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  2  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C18H15ClN6OS2

>  <MolWeight> (281)
430.9343

>  <Cat> (281)
S8699

>  <Name> (281)
SNS-314 Mesylate

>  <Synonyms> (281)
N/A

>  <Target> (281)
Aurora Kinase

>  <CAS> (281)
1057249-41-8

>  <URL> (281)
http://selleckchem.com/products/sns-314.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/09261916232D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    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
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C10H16N5O8P

>  <MolWeight> (282)
365.236501

>  <Cat> (282)
S5284

>  <Name> (282)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (282)
5'-Adenylic acid, 5'-AMP

>  <Target> (282)
AMPK

>  <Form> (282)
hydrate 

>  <CAS> (282)
18422-05-4

>  <URL> (282)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/09261916232D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  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
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (283)
283

>  <Formula> (283)
C17H21N6O4P

>  <MolWeight> (283)
404.360201

>  <Cat> (283)
S5243

>  <Name> (283)
Ruxolitinib Phosphate

>  <Synonyms> (283)
INCB018424, INC424

>  <Target> (283)
JAK

>  <Form> (283)
phosphate 

>  <CAS> (283)
1092939-17-7

>  <URL> (283)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/09261916232D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    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
    8.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  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
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (284)
284

>  <Formula> (284)
C12H9ClO2S

>  <MolWeight> (284)
252.71666

>  <Cat> (284)
S5438

>  <Name> (284)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (284)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (284)
HDAC

>  <Form> (284)
free base

>  <CAS> (284)
1623-93-4

>  <URL> (284)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/09261916232D

 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
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M  END
>  <Mol_ID> (285)
285

>  <Formula> (285)
C21H16N2O9S2

>  <MolWeight> (285)
504.48974

>  <Cat> (285)
S5445

>  <Name> (285)
AMI-1, free acid

>  <Synonyms> (285)
N/A

>  <Target> (285)
Histone Methyltransferase

>  <Form> (285)
free base

>  <CAS> (285)
134-47-4

>  <URL> (285)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/09261916232D

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>  <Mol_ID> (286)
286

>  <Formula> (286)
C20H18O6

>  <MolWeight> (286)
354.35332

>  <Cat> (286)
S3934

>  <Name> (286)
Acetyl Resveratrol

>  <Synonyms> (286)
N/A

>  <Target> (286)
Sirt12

>  <Form> (286)
free base

>  <CAS> (286)
42206-94-0

>  <URL> (286)
http://selleckchem.com/products/.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C8H6N2O

>  <MolWeight> (287)
146.14604

>  <Cat> (287)
S9360

>  <Name> (287)
4-Hydroxyquinazoline

>  <Form> (287)
free base

>  <CAS> (287)
491-36-1

$$$$
S9389 Phorbol.cdx
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C20H28O6

>  <MolWeight> (288)
364.43272

>  <Cat> (288)
S9389

>  <Name> (288)
Phorbol

>  <Form> (288)
free base

>  <CAS> (288)
17673-25-5

$$$$
S9262 Raddeanin A.cdx
csChFnd80/09261916232D

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 10 48  1  1  0  0  0
 21 22  1  0  0  0  0
 41 49  1  1  0  0  0
  5  6  1  0  0  0  0
 34 50  1  1  0  0  0
 20 23  1  6  0  0  0
 31 51  1  1  0  0  0
 43 52  1  6  0  0  0
 23 24  1  0  0  0  0
 33 53  1  6  0  0  0
 24 25  1  0  0  0  0
 38 54  1  6  0  0  0
  9 12  2  0  0  0  0
 42 55  1  6  0  0  0
 10 14  1  0  0  0  0
 40 56  1  6  0  0  0
 13 11  1  0  0  0  0
 24 57  1  6  0  0  0
 11 12  1  0  0  0  0
 17 58  1  6  0  0  0
 13 14  1  0  0  0  0
 14 59  1  6  0  0  0
 24 29  1  0  0  0  0
  5 60  1  6  0  0  0
 25 26  1  0  0  0  0
  6 61  1  6  0  0  0
 26 27  1  0  0  0  0
  1 62  1  0  0  0  0
 27 28  1  0  0  0  0
  1 63  1  0  0  0  0
 28 29  1  0  0  0  0
 19 64  1  0  0  0  0
  1  2  1  0  0  0  0
 19 65  1  0  0  0  0
 29 30  1  6  0  0  0
 61 66  1  0  0  0  0
  1  4  1  0  0  0  0
 61 67  2  0  0  0  0
 30 31  1  0  0  0  0
 35 68  1  6  0  0  0
 31 32  1  0  0  0  0
 68 69  1  0  0  0  0
M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C47H76O16

>  <MolWeight> (289)
897.09674

>  <Cat> (289)
S9262

>  <Name> (289)
Raddeanin A

>  <Form> (289)
free base

>  <CAS> (289)
89412-79-3

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1903    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  5 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  2  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 13 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 14  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C20H21N3O2

>  <MolWeight> (290)
335.39964

>  <Cat> (290)
S8049

>  <Name> (290)
Tubastatin A

>  <Target> (290)
others

>  <CAS> (290)
1252003-15-8

>  <URL> (290)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/09261916232D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   10.0939    3.4287    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  3  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
  4  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
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C16H20N7O6PS

>  <MolWeight> (291)
469.412061

>  <Cat> (291)
S5754

>  <Name> (291)
Baricitinib phosphate

>  <Synonyms> (291)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (291)
JAK

>  <Form> (291)
phosphate

>  <CAS> (291)
1187595-84-1

>  <URL> (291)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/09261916232D

 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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  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  9 10  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  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
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 11 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C17H13N3O2

>  <MolWeight> (292)
291.30402

>  <Cat> (292)
S5772

>  <Name> (292)
AS-8351

>  <Synonyms> (292)
N/A

>  <Target> (292)
Histone Demethylase

>  <Form> (292)
Free Base

>  <CAS> (292)
796-42-9

>  <URL> (292)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/09261916232D

 15 15  0  0  0  0  0  0  0  0999 V2000
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   10.9467    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1711    2.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0421    0.0000 Br  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
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  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C11H15BrN2O

>  <MolWeight> (293)
271.1536

>  <Cat> (293)
S5810

>  <Name> (293)
UF010

>  <Synonyms> (293)
N/A

>  <Target> (293)
HDAC

>  <Form> (293)
Free Base

>  <CAS> (293)
537672-41-6 

>  <URL> (293)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/09261916232D

 14 13  0  0  0  0  0  0  0  0999 V2000
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   13.3855    1.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4296    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4296    0.0000    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  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C8H16N2O4

>  <MolWeight> (294)
204.22364

>  <Cat> (294)
S5905

>  <Name> (294)
Suberohydroxamic acid

>  <Synonyms> (294)
suberic bishydroxamic acid

>  <Target> (294)
HDAC

>  <Form> (294)
Free Base

>  <CAS> (294)
38937-66-5

>  <URL> (294)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/09261916232D

 26 29  0  0  0  0  0  0  0  0999 V2000
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Free Base

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14513-15-6

>  <URL> (295)
http://www.selleckchem.com/products/cambinol.html

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>  <Mol_ID> (296)
296

>  <Formula> (296)
C19H21BrN2O3S

>  <MolWeight> (296)
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>  <Cat> (296)
S5914

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>  <Synonyms> (296)
N/A

>  <Target> (296)
Sirtuin

>  <Form> (296)
Free Base

>  <CAS> (296)
420831-40-9

>  <URL> (296)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/09261916232D

 29 32  0  0  0  0  0  0  0  0999 V2000
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N/A

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Epigenetic Reader Do

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>  <CAS> (297)
901245-65-6

>  <URL> (297)
http://www.selleckchem.com/products/gsk-5959.html

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csChFnd80/09261916232D

 30 34  0  0  0  0  0  0  0  0999 V2000
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298

>  <Formula> (298)
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>  <Target> (298)
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>  <Form> (298)
Free Base

>  <CAS> (298)
374922-43-7

>  <URL> (298)
http://www.selleckchem.com/products/cay10602.html

$$$$

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M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C17H12F3NO4S

>  <MolWeight> (299)
383.3416896

>  <Cat> (299)
S8352

>  <Name> (299)
PT2385

>  <Synonyms> (299)
N/A

>  <Target> (299)
HIF

>  <Form> (299)
Free Base

>  <CAS> (299)
1672665-49-4

>  <URL> (299)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/09261916232D

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>  <Mol_ID> (300)
300

>  <Formula> (300)
C17H13ClNO5P

>  <MolWeight> (300)
377.715581

>  <Cat> (300)
S8409

>  <Name> (300)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (300)
N/A

>  <Target> (300)
Epigenetic Reader Do

>  <Form> (300)
Free Base

>  <CAS> (300)
18228-17-6

>  <URL> (300)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/09261916232D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C16H15FN4O

>  <MolWeight> (301)
298.3149032

>  <Cat> (301)
S8592

>  <Name> (301)
Pamiparib (BGB-290)

>  <Synonyms> (301)
N/A

>  <Target> (301)
PARP

>  <Form> (301)
Free Base

>  <CAS> (301)
1446261-44-4

>  <URL> (301)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/09261916232D

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>  <Mol_ID> (302)
302

>  <Formula> (302)
C24H18ClN3O3

>  <MolWeight> (302)
431.87102

>  <Cat> (302)
S8654

>  <Name> (302)
ex229 (compound 991)

>  <Synonyms> (302)
N/A

>  <Target> (302)
AMPK

>  <Form> (302)
Free Base

>  <CAS> (302)
1219739-36-2

>  <URL> (302)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

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2098546-05-3

>  <URL> (303)
http://www.selleckchem.com/products/ebi-2511.html

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csChFnd80/09261916232D

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304

>  <Formula> (304)
C20H21N3O5S

>  <MolWeight> (304)
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>  <Synonyms> (304)
N/A

>  <Target> (304)
Epigenetic Reader Do

>  <Form> (304)
Free Base

>  <CAS> (304)
1820889-23-3

>  <URL> (304)
http://www.selleckchem.com/products/incb057643.html

$$$$

csChFnd80/09261916232D

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>  <Mol_ID> (305)
305

>  <Formula> (305)
C28H30FN3O4

>  <MolWeight> (305)
491.5539032

>  <Cat> (305)
S8723

>  <Name> (305)
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>  <Synonyms> (305)
N/A

>  <Target> (305)
Epigenetic Reader Do

>  <Form> (305)
Free Base

>  <CAS> (305)
2138861-99-9

>  <URL> (305)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/09261916232D

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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
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>  <MolWeight> (306)
387.4312232

>  <Cat> (306)
S8727

>  <Name> (306)
Atuveciclib (BAY-1143572)

>  <Synonyms> (306)
N/A

>  <Target> (306)
CDK

>  <Form> (306)
Free Base

>  <CAS> (306)
1414943-88-6

>  <URL> (306)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/09261916232D

 26 30  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (307)
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>  <Synonyms> (307)
N/A

>  <Target> (307)
Rho

>  <Form> (307)
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>  <CAS> (307)
2097938-73-1

>  <URL> (307)
http://www.selleckchem.com/products/mbq-167.html

$$$$

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M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C16H16N4O2

>  <MolWeight> (308)
296.32384

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>  <Synonyms> (308)
N/A

>  <Target> (308)
Epigenetic Reader Do

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Free Base

>  <CAS> (308)
2229039-45-4

>  <URL> (308)
http://www.selleckchem.com/products/zl0420.html

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csChFnd80/09261916232D

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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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
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 15 16  1  0  0  0  0
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 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 23  8  1  0  0  0  0
 20 24  1  0  0  0  0
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 26  8  1  0  0  0  0
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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C23H32N2O2

>  <MolWeight> (309)
368.51238

>  <Cat> (309)
S8771

>  <Name> (309)
IDF-11774

>  <Synonyms> (309)
N/A

>  <Target> (309)
HIF

>  <Form> (309)
Free Base

>  <CAS> (309)
1429054-28-3

>  <URL> (309)
http://www.selleckchem.com/products/idf-11774.html

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 19 20  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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>  <Mol_ID> (310)
310

>  <Formula> (310)
C15H16N2O2

>  <MolWeight> (310)
256.29974

>  <Cat> (310)
S8773

>  <Name> (310)
TH34

>  <Synonyms> (310)
N/A

>  <Target> (310)
HDAC

>  <Form> (310)
Free Base

>  <CAS> (310)
2196203-96-8

>  <URL> (310)
http://www.selleckchem.com/products/th34.html

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csChFnd80/09261916232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (311)
311

>  <Formula> (311)
C18H13F2N3O3S

>  <MolWeight> (311)
389.3759264

>  <Cat> (311)
S8776

>  <Name> (311)
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>  <Synonyms> (311)
N/A

>  <Target> (311)
Histone Acetyltransf

>  <Form> (311)
Free Base

>  <CAS> (311)
2055397-28-7

>  <URL> (311)
http://www.selleckchem.com/products/wm-1119.html

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 33 37  0  0  0  0  0  0  0  0999 V2000
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312

>  <Formula> (312)
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>  <MolWeight> (312)
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>  <Cat> (312)
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>  <Name> (312)
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>  <Synonyms> (312)
N/A

>  <Target> (312)
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>  <URL> (313)
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M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C14H21N5O2S

>  <MolWeight> (315)
323.41384

>  <Cat> (315)
S8765

>  <Name> (315)
PF-04965842

>  <Synonyms> (315)
N/A

>  <Target> (315)
JAK

>  <Form> (315)
free base

>  <CAS> (315)
1622902-68-4

>  <URL> (315)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/09261916232D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C5H7N3O

>  <MolWeight> (316)
125.12858

>  <Cat> (316)
S6021

>  <Name> (316)
5-Methylcytosine

>  <Synonyms> (316)
N/A

>  <Target> (316)
Others

>  <Form> (316)
free base

>  <CAS> (316)
554-01-8

>  <URL> (316)
http://www.selleck.cn/products/5-methylcytosine.html

$$$$

csChFnd80/09261916232D

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 10  5  1  0  0  0  0
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 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C21H19ClNO4+

>  <MolWeight> (317)
384.83286

>  <Cat> (317)
S1292

>  <Name> (317)
Chelerythrine Chloride

>  <Synonyms> (317)
N/A

>  <Target> (317)
PKC

>  <Form> (317)
Chloride

>  <CAS> (317)
3895-92-9

>  <URL> (317)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/09261916232D

 28 32  0  0  0  0  0  0  0  0999 V2000
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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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  6  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
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 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C18H21F2N7O

>  <MolWeight> (318)
389.4024464

>  <Cat> (318)
S8804

>  <Name> (318)
PF-06700841

>  <Synonyms> (318)
PF-841

>  <Target> (318)
JAK

>  <Form> (318)
Free Base

>  <CAS> (318)
1883299-62-4

>  <URL> (318)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/09261916232D

 43 46  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C33H31Cl2N3O5

>  <MolWeight> (319)
620.52234

>  <Cat> (319)
S8846

>  <Name> (319)
compound 3i (666-15)

>  <Synonyms> (319)
N/A

>  <Target> (319)
Epigenetic Reader Do

>  <Form> (319)
Free Base

>  <CAS> (319)
1433286-70-4

>  <URL> (319)
http://www.selleck.cn/products/compound-3i.html

$$$$

csChFnd80/09261916232D

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M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C23H21N5O3

>  <MolWeight> (320)
415.44454

>  <Cat> (320)
S2780

>  <Name> (320)
I-BET151 (GSK1210151A)

>  <Synonyms> (320)
N/A

>  <Target> (320)
Epigenetic Reader Do

>  <Form> (320)
Free Base

>  <CAS> (320)
1300031-49-5

>  <URL> (320)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/09261916232D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    4.8455    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0019    0.7000    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
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  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 17  2  0  0  0  0
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M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C23H18N6O2

>  <MolWeight> (321)
410.42802

>  <Cat> (321)
S7137

>  <Name> (321)
GLPG0634 analogue

>  <Synonyms> (321)
N/A

>  <Target> (321)
JAK

>  <Form> (321)
Free Base

>  <CAS> (321)
1206101-20-3

>  <URL> (321)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/09261916232D

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    0.0000    8.3552    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
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 23 24  2  0  0  0  0
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 21 28  1  0  0  0  0
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 33 13  1  0  0  0  0
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 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C31H39N7O2

>  <MolWeight> (322)
541.68706

>  <Cat> (322)
S7164

>  <Name> (322)
GSK343

>  <Synonyms> (322)
N/A

>  <Target> (322)
Histone Methyltransf

>  <Form> (322)
Free Base

>  <CAS> (322)
1346704-33-3

>  <URL> (322)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/09261916232D

 26 28  0  0  0  0  0  0  0  0999 V2000
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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
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  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C19H18N4O3

>  <MolWeight> (323)
350.37122

>  <Cat> (323)
S8684

>  <Name> (323)
Selective JAK3 inhibitor 1

>  <Synonyms> (323)
N/A

>  <Target> (323)
JAK

>  <Form> (323)
Free Base

>  <CAS> (323)
1443235-95-7

>  <URL> (323)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/09261916232D

 33 37  0  0  0  0  0  0  0  0999 V2000
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1627929-55-8

>  <URL> (324)
http://www.selleck.cn/products/plx51107.html

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>  <Mol_ID> (325)
325

>  <Formula> (325)
C19H16N4O3

>  <MolWeight> (325)
348.35534

>  <Cat> (325)
S8753

>  <Name> (325)
INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (325)
N/A

>  <Target> (325)
Epigenetic Reader Do

>  <Form> (325)
Free Base

>  <CAS> (325)
1628607-64-6

>  <URL> (325)
http://www.selleck.cn/products/incb054329.html

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csChFnd80/09261916232D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C19H28Cl2N4O2

>  <MolWeight> (326)
415.35722

>  <Cat> (326)
S8769

>  <Name> (326)
Tinostamustine(EDO-S101)

>  <Synonyms> (326)
N/A

>  <Target> (326)
HDAC

>  <Form> (326)
Free Base

>  <CAS> (326)
1236199-60-2

>  <URL> (326)
http://www.selleck.cn/products/tinostamustine.html

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csChFnd80/09261916232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (327)
327

>  <Formula> (327)
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>  <MolWeight> (327)
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>  <Cat> (327)
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>  <Name> (327)
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>  <Synonyms> (327)
N/A

>  <Target> (327)
JAK

>  <Form> (327)
free base

>  <CAS> (327)
935666-88-9

>  <URL> (327)
http://www.selleck.cn/products/AZD1480.html

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>  <Mol_ID> (328)
328

>  <Formula> (328)
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>  <MolWeight> (328)
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>  <Cat> (328)
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>  <Name> (328)
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>  <Synonyms> (328)
N/A

>  <Target> (328)
Pim

>  <Form> (328)
free base

>  <CAS> (328)
587852-28-6

>  <URL> (328)
http://www.selleck.cn/products/smi-16a.html

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 21 23  0  0  0  0  0  0  0  0999 V2000
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    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
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 19 21  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C16H15N3O2

>  <MolWeight> (329)
281.3092

>  <Cat> (329)
S6521

>  <Name> (329)
WHI-P258

>  <Synonyms> (329)
N/A

>  <Target> (329)
JAK

>  <Form> (329)
free base

>  <CAS> (329)
21561-09-1

>  <URL> (329)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/09261916232D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    6.0801    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6552    8.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2273    3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5677    7.2746    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
  1  5  2  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
  7  8  1  0  0  0  0
  2  6  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
 14 19  2  0  0  0  0
  4 14  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
 20 25  2  0  0  0  0
  1 20  1  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C23H24N2O

>  <MolWeight> (330)
344.44946

>  <Cat> (330)
S6524

>  <Name> (330)
NSC 42834

>  <Synonyms> (330)
JAK2 Inhibitor V

>  <Target> (330)
JAK

>  <Form> (330)
free base

>  <CAS> (330)
195371-52-9

>  <URL> (330)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/09261916232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   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
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   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> (331)
331

>  <Formula> (331)
C18H23ClN4O

>  <MolWeight> (331)
346.85442

>  <Cat> (331)
S8438

>  <Name> (331)
T-3775440 HCl

>  <Synonyms> (331)
N/A

>  <Target> (331)
Histone Demethylase

>  <Form> (331)
HCl

>  <CAS> (331)
1422535-52-1

>  <URL> (331)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/09261916232D

 29 31  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
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    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    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
  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
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 18 13  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C21H24N4O4

>  <MolWeight> (332)
396.43966

>  <Cat> (332)
S8743

>  <Name> (332)
SKLB-23bb

>  <Synonyms> (332)
N/A

>  <Target> (332)
HDAC

>  <Form> (332)
free base

>  <CAS> (332)
1815580-06-3

>  <URL> (332)
http://www.selleck.cn/products/sklb-23bb.html

$$$$
WAY-312666
csChFnd80/09261916232D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C18H17Cl2N3O4S

>  <MolWeight> (333)
442.31628

>  <Cat> (333)
P3594

>  <Name> (333)
WAY-312666

>  <Synonyms> (333)
N/A

>  <Target> (333)
SIRT3

>  <Form> (333)
free base

>  <CAS> (333)
472980-46-4

>  <URL> (333)
N/A

$$$$
WAY-311318
csChFnd80/09261916232D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C26H24N2O3

>  <MolWeight> (334)
412.48036

>  <Cat> (334)
P3591

>  <Name> (334)
WAY-311318

>  <Synonyms> (334)
N/A

>  <Target> (334)
HIF prolyl hydroxylasem,IN-LEDGF/p75 inter

>  <Form> (334)
free base

>  <CAS> (334)
333314-79-7

>  <URL> (334)
N/A

$$$$
WAY-312461
csChFnd80/09261916232D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C25H22N2O4

>  <MolWeight> (335)
414.45318

>  <Cat> (335)
P3593

>  <Name> (335)
WAY-312461

>  <Synonyms> (335)
N/A

>  <Target> (335)
Wnt/b-catenin, KDM4 histone demethylases a

>  <Form> (335)
free base

>  <CAS> (335)
420827-50-5

>  <URL> (335)
N/A

$$$$
WAY-311581
csChFnd80/09261916232D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
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 19 22  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C23H25N3O4

>  <MolWeight> (336)
407.4623

>  <Cat> (336)
P3592

>  <Name> (336)
WAY-311581

>  <Synonyms> (336)
N/A

>  <Target> (336)
SIRT3

>  <Form> (336)
free base

>  <CAS> (336)
332125-86-7

>  <URL> (336)
N/A

$$$$
WAY-310766
csChFnd80/09261916232D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C17H28N6O2

>  <MolWeight> (337)
348.44322

>  <Cat> (337)
P3590

>  <Name> (337)
WAY-310766

>  <Synonyms> (337)
N/A

>  <Target> (337)
PKC¦Â,PARP-1

>  <Form> (337)
free base

>  <CAS> (337)
442864-84-8

>  <URL> (337)
N/A

$$$$
WAY-118959-A
csChFnd80/09261916232D

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N/A

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WAY-249486
csChFnd80/09261916232D

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N/A

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WAY-296712
csChFnd80/09261916232D

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N/A

$$$$
WAY-297285
csChFnd80/09261916232D

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others

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314043-73-7

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N/A

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WAY-297357
csChFnd80/09261916232D

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N/A

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CL-406156
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M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C19H22N2O2

>  <MolWeight> (343)
310.39018

>  <Cat> (343)
P3540

>  <Name> (343)
CL-406156

>  <Synonyms> (343)
N/A

>  <Target> (343)
DNA Methyltransferase 1

>  <Form> (343)
free base

>  <CAS> (343)
91324-16-2

>  <URL> (343)
N/A

$$$$
WAY-234636
csChFnd80/09261916232D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  5 10  1  0  0  0  0
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 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
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  5  7  1  0  0  0  0
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 12 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C16H12N4O2

>  <MolWeight> (344)
292.29208

>  <Cat> (344)
P3547

>  <Name> (344)
WAY-234636

>  <Synonyms> (344)
N/A

>  <Target> (344)
Androgen Receptor

>  <Form> (344)
free base

>  <CAS> (344)
55589-09-8

>  <URL> (344)
N/A

$$$$
WAY-298378
csChFnd80/09261916232D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C12H12N2O3S

>  <MolWeight> (345)
264.30028

>  <Cat> (345)
P3563

>  <Name> (345)
WAY-298378

>  <Synonyms> (345)
N/A

>  <Target> (345)
AMPK

>  <Form> (345)
free base

>  <CAS> (345)
335398-80-6

>  <URL> (345)
N/A

$$$$
WAY-298477
csChFnd80/09261916232D

 32 35  0  0  0  0  0  0  0  0999 V2000
   13.1414    7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6884    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3908    5.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2146    8.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  1  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  4  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
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 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 18  2  0  0  0  0
 26 17  1  0  0  0  0
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 29 24  1  0  0  0  0
 30 10  1  0  0  0  0
 31 11  1  0  0  0  0
 32 29  1  0  0  0  0
  7  9  1  0  0  0  0
 26 23  2  0  0  0  0
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 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C23H22N4O5

>  <MolWeight> (346)
434.44458

>  <Cat> (346)
P3564

>  <Name> (346)
WAY-298477

>  <Synonyms> (346)
N/A

>  <Target> (346)
PKC-b II and PKB dual 

>  <Form> (346)
free base

>  <CAS> (346)
1353673-63-8

>  <URL> (346)
N/A

$$$$
WAY-298851
csChFnd80/09261916232D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C15H9ClO3

>  <MolWeight> (347)
272.68316

>  <Cat> (347)
P3565

>  <Name> (347)
WAY-298851

>  <Synonyms> (347)
N/A

>  <Target> (347)
Pim-1,Anti-infection

>  <Form> (347)
free base

>  <CAS> (347)
53391-72-3

>  <URL> (347)
N/A

$$$$
WAY-299178
csChFnd80/09261916232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C18H19N3O

>  <MolWeight> (348)
293.36296

>  <Cat> (348)
P3566

>  <Name> (348)
WAY-299178

>  <Synonyms> (348)
N/A

>  <Target> (348)
HDAC

>  <Form> (348)
free base

>  <CAS> (348)
1031349-21-9

>  <URL> (348)
N/A

$$$$
WAY-299510
csChFnd80/09261916232D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2138    0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C16H17N5O2

>  <MolWeight> (349)
311.33848

>  <Cat> (349)
P3567

>  <Name> (349)
WAY-299510

>  <Synonyms> (349)
N/A

>  <Target> (349)
Anti-infection,STAT3

>  <Form> (349)
free base

>  <CAS> (349)
1007998-55-1

>  <URL> (349)
N/A

$$$$
WAY-325090
csChFnd80/09261916232D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   -1.1878    1.4429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3 13  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 18  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
  9  5  2  0  0  0  0
 21 19  1  0  0  0  0
 11 10  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C19H15N3O2S2

>  <MolWeight> (350)
381.4713

>  <Cat> (350)
P3617

>  <Name> (350)
WAY-325090

>  <Synonyms> (350)
N/A

>  <Target> (350)
microRNA

>  <Form> (350)
free base

>  <CAS> (350)
1008280-11-2

>  <URL> (350)
N/A

$$$$
CL-414715
csChFnd80/09261916232D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7960    0.4386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7960    1.9714    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2621   -0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    2.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768    1.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    1.3324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C15H15N3O4

>  <MolWeight> (351)
301.2973

>  <Cat> (351)
P3541

>  <Name> (351)
CL-414715

>  <Synonyms> (351)
N/A

>  <Target> (351)
EZH2

>  <Form> (351)
free base

>  <CAS> (351)
107392-68-7

>  <URL> (351)
N/A

$$$$
CL-418030
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0426   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7460   -2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4701   -2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0585   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6728    2.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880    2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730    3.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    3.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  2  0  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3  4  1  0  0  0  0
 15 18  1  0  0  0  0
  1  9  2  0  0  0  0
 18 19  1  0  0  0  0
  9  6  1  0  0  0  0
 18 20  2  0  0  0  0
  4  5  2  0  0  0  0
 19 21  2  0  0  0  0
  4 10  1  0  0  0  0
 21 22  1  0  0  0  0
  5  1  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C19H20N4OS

>  <MolWeight> (352)
352.4533

>  <Cat> (352)
P3542

>  <Name> (352)
CL-418030

>  <Synonyms> (352)
N/A

>  <Target> (352)
MLL protein and menin interaction,P2Y12 re

>  <Form> (352)
free base

>  <CAS> (352)
1093748-54-9

>  <URL> (352)
N/A

$$$$
GI-558744
csChFnd80/09261916232D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.5761   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -1.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5450   -2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7554    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    2.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347   -2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C14H9NO3

>  <MolWeight> (353)
239.22616

>  <Cat> (353)
P3543

>  <Name> (353)
GI-558744

>  <Synonyms> (353)
N/A

>  <Target> (353)
HIF PHD,Anti-infection

>  <Form> (353)
free base

>  <CAS> (353)
1164452-80-5

>  <URL> (353)
N/A

$$$$
WAY-223539
csChFnd80/09261916232D

 19 20  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-299582
csChFnd80/09261916232D

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N/A

$$$$
WAY-299727
csChFnd80/09261916232D

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WAY-299788
csChFnd80/09261916232D

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N/A

$$$$
WAY-299838
csChFnd80/09261916232D

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N/A

$$$$
WAY-300386
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C18H19N3O

>  <MolWeight> (359)
293.36296

>  <Cat> (359)
P3572

>  <Name> (359)
WAY-300386

>  <Synonyms> (359)
N/A

>  <Target> (359)
HDAC8,matrix metalloprotease,Anti-infectio

>  <Form> (359)
free base

>  <CAS> (359)
125009-81-6

>  <URL> (359)
N/A

$$$$
WAY-300488
csChFnd80/09261916232D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 12  9  2  0  0  0  0
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M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C11H12N2S

>  <MolWeight> (360)
204.29138

>  <Cat> (360)
P3573

>  <Name> (360)
WAY-300488

>  <Synonyms> (360)
N/A

>  <Target> (360)
Sirtuin,Nrf2,glucokinase,antiviral

>  <Form> (360)
free base

>  <CAS> (360)
299953-94-9

>  <URL> (360)
N/A

$$$$
WAY-300662
csChFnd80/09261916232D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C20H12Cl2N2O2S

>  <MolWeight> (361)
415.29248

>  <Cat> (361)
P3574

>  <Name> (361)
WAY-300662

>  <Synonyms> (361)
N/A

>  <Target> (361)
Aurora Kinase

>  <Form> (361)
free base

>  <CAS> (361)
327051-69-4

>  <URL> (361)
N/A

$$$$
WAY-300856
csChFnd80/09261916232D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 14  2  0  0  0  0
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 15 18  2  0  0  0  0
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M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C22H19N3OS

>  <MolWeight> (362)
373.47076

>  <Cat> (362)
P3575

>  <Name> (362)
WAY-300856

>  <Synonyms> (362)
N/A

>  <Target> (362)
Sirtuin,NRF2,p97

>  <Form> (362)
free base

>  <CAS> (362)
129544-85-0

>  <URL> (362)
N/A

$$$$
WAY-389228
csChFnd80/09261916232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16  2  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  2  0  0  0  0
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 23 18  1  0  0  0  0
 11  6  2  0  0  0  0
 22 21  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C18H18N2O3

>  <MolWeight> (363)
310.34712

>  <Cat> (363)
P3638

>  <Name> (363)
WAY-389228

>  <Synonyms> (363)
N/A

>  <Target> (363)
others

>  <Form> (363)
free base

>  <CAS> (363)
300860-39-3

>  <URL> (363)
N/A

$$$$
WAY-389891
csChFnd80/09261916232D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (364)
364

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N/A

>  <Target> (364)
Rtt109

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free base

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327091-55-4

>  <URL> (364)
N/A

$$$$
WAY-302914
csChFnd80/09261916232D

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>  <Mol_ID> (365)
365

>  <Formula> (365)
C22H25N3O2

>  <MolWeight> (365)
363.4528

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P3576

>  <Name> (365)
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>  <Synonyms> (365)
N/A

>  <Target> (365)
others

>  <Form> (365)
free base

>  <CAS> (365)
313378-68-6

>  <URL> (365)
N/A

$$$$
WAY-303376
csChFnd80/09261916232D

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>  <Mol_ID> (366)
366

>  <Formula> (366)
C23H23N5O2

>  <MolWeight> (366)
401.46102

>  <Cat> (366)
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>  <Name> (366)
WAY-303376

>  <Synonyms> (366)
N/A

>  <Target> (366)
EZH2

>  <Form> (366)
free base

>  <CAS> (366)
500270-56-4

>  <URL> (366)
N/A

$$$$
WAY-303382
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C19H21N5O

>  <MolWeight> (367)
335.40294

>  <Cat> (367)
P3578

>  <Name> (367)
WAY-303382

>  <Synonyms> (367)
N/A

>  <Target> (367)
STAT

>  <Form> (367)
free base

>  <CAS> (367)
487035-73-4

>  <URL> (367)
N/A

$$$$
WAY-303388
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C14H12N4O4

>  <MolWeight> (368)
300.26948

>  <Cat> (368)
P3579

>  <Name> (368)
WAY-303388

>  <Synonyms> (368)
N/A

>  <Target> (368)
EZH2

>  <Form> (368)
free base

>  <CAS> (368)
499210-92-3

>  <URL> (368)
N/A

$$$$
WAY-304388
csChFnd80/09261916232D

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    2.3934    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -1.3522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  2  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
 25  7  1  0  0  0  0
  5 24  1  0  0  0  0
 25 12  1  0  0  0  0
  8  9  2  0  0  0  0
 13  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 11  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  0  0  0  0
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 21 17  2  0  0  0  0
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 19 21  1  0  0  0  0
 21 20  1  0  0  0  0
 13 22  1  0  0  0  0
 22 14  1  0  0  0  0
 14 23  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C21H17N3O

>  <MolWeight> (369)
327.37918

>  <Cat> (369)
P3580

>  <Name> (369)
WAY-304388

>  <Synonyms> (369)
N/A

>  <Target> (369)
sirtuin,histone acetyl transferase

>  <Form> (369)
free base

>  <CAS> (369)
305357-89-5

>  <URL> (369)
N/A

$$$$
WAY-304405
csChFnd80/09261916232D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2103    0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4414    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.3241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.0621    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0276   -1.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8379    1.3172    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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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 15 19  2  0  0  0  0
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 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  9  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C19H19NO2

>  <MolWeight> (370)
293.35966

>  <Cat> (370)
P3581

>  <Name> (370)
WAY-304405

>  <Synonyms> (370)
N/A

>  <Target> (370)
STAT,Plasmodium falciparum Equilibrative N

>  <Form> (370)
free base

>  <CAS> (370)
1351505-59-3

>  <URL> (370)
N/A

$$$$
WAY-304544
csChFnd80/09261916232D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1655    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.2034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3759   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.8276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.3759   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.1414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.9138    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9138    2.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  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
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 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C15H16N2O3

>  <MolWeight> (371)
272.29914

>  <Cat> (371)
P3582

>  <Name> (371)
WAY-304544

>  <Synonyms> (371)
N/A

>  <Target> (371)
sirtuin

>  <Form> (371)
free base

>  <CAS> (371)
347362-65-6

>  <URL> (371)
N/A

$$$$
WAY-304671
csChFnd80/09261916232D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.2522   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626   -0.9585    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626    0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833   -0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    1.1587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C16H9ClN2OS2

>  <MolWeight> (372)
344.83846

>  <Cat> (372)
P3583

>  <Name> (372)
WAY-304671

>  <Synonyms> (372)
N/A

>  <Target> (372)
SMYD3

>  <Form> (372)
free base

>  <CAS> (372)
330837-95-1

>  <URL> (372)
N/A

$$$$
WAY-305238
csChFnd80/09261916232D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4414   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5276    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2655   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2655    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1759    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2103    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
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  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
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 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C18H19N3O4S

>  <MolWeight> (373)
373.42616

>  <Cat> (373)
P3584

>  <Name> (373)
WAY-305238

>  <Synonyms> (373)
N/A

>  <Target> (373)
parp1

>  <Form> (373)
free base

>  <CAS> (373)
442648-52-4

>  <URL> (373)
N/A

$$$$
WAY-305341
csChFnd80/09261916232D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.6343   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688   -1.8207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929   -1.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6584   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (374)
374

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P3585

>  <Name> (374)
WAY-305341

>  <Synonyms> (374)
N/A

>  <Target> (374)
HDAC

>  <Form> (374)
free base

>  <CAS> (374)
353781-42-7

>  <URL> (374)
N/A

$$$$
WAY-383515
csChFnd80/09261916232D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C17H18N2O3S

>  <MolWeight> (375)
330.40142

>  <Cat> (375)
P3636

>  <Name> (375)
WAY-383515

>  <Synonyms> (375)
N/A

>  <Target> (375)
BRD4

>  <Form> (375)
free base

>  <CAS> (375)
304685-40-3

>  <URL> (375)
N/A

$$$$
WAY-305857
csChFnd80/09261916232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C15H24N6O2

>  <MolWeight> (376)
320.39006

>  <Cat> (376)
P3586

>  <Name> (376)
WAY-305857

>  <Synonyms> (376)
N/A

>  <Target> (376)
PKC¦Â, PARP-1 

>  <Form> (376)
free base

>  <CAS> (376)
313471-52-2

>  <URL> (376)
N/A

$$$$
WAY-324197
csChFnd80/09261916232D

 24 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 18 16  2  0  0  0  0
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M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C21H22N2O

>  <MolWeight> (377)
318.41218

>  <Cat> (377)
P3613

>  <Name> (377)
WAY-324197

>  <Synonyms> (377)
N/A

>  <Target> (377)
SIRT2

>  <Form> (377)
free base

>  <CAS> (377)
1005095-06-6

>  <URL> (377)
N/A

$$$$
WAY-385602
csChFnd80/09261916232D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
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 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18  5  1  0  0  0  0
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 22 19  1  0  0  0  0
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M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C20H19ClFN3O3

>  <MolWeight> (378)
403.8345632

>  <Cat> (378)
P3637

>  <Name> (378)
WAY-385602

>  <Synonyms> (378)
N/A

>  <Target> (378)
fungal histone acetyltransferase Rtt109

>  <Form> (378)
free base

>  <CAS> (378)
722478-59-3

>  <URL> (378)
N/A

$$$$
WL-164379
csChFnd80/09261916232D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C19H21N3OS2

>  <MolWeight> (379)
371.51954

>  <Cat> (379)
P3676

>  <Name> (379)
WL-164379

>  <Synonyms> (379)
N/A

>  <Target> (379)
STAT3

>  <Form> (379)
free base

>  <CAS> (379)
311762-65-9

>  <URL> (379)
N/A

$$$$
WAY-308264
csChFnd80/09261916232D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C14H14N4O2S

>  <MolWeight> (380)
302.35156

>  <Cat> (380)
P3587

>  <Name> (380)
WAY-308264

>  <Synonyms> (380)
N/A

>  <Target> (380)
histone acetyltransferase

>  <Form> (380)
free base

>  <CAS> (380)
364624-08-8

>  <URL> (380)
N/A

$$$$
WAY-309060
csChFnd80/09261916232D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C13H14N2O4

>  <MolWeight> (381)
262.26126

>  <Cat> (381)
P3588

>  <Name> (381)
WAY-309060

>  <Synonyms> (381)
N/A

>  <Target> (381)
BRD4

>  <Form> (381)
free base

>  <CAS> (381)
309951-18-6

>  <URL> (381)
N/A

$$$$
WAY-309229-A
csChFnd80/09261916232D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C14H13N3OS

>  <MolWeight> (382)
271.33752

>  <Cat> (382)
P3589

>  <Name> (382)
WAY-309229-A

>  <Synonyms> (382)
N/A

>  <Target> (382)
EGFR

>  <Form> (382)
free base

>  <CAS> (382)
799800-65-0

>  <URL> (382)
N/A

$$$$
WAY-352571
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 11  1  0  0  0  0
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 10  7  1  0  0  0  0
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 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  1  0  0  0  0
 18 21  2  0  0  0  0
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 20  7  2  0  0  0  0
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 14 18  1  0  0  0  0
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 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C19H17N3O4S2

>  <MolWeight> (383)
415.48598

>  <Cat> (383)
P3628

>  <Name> (383)
WAY-352571

>  <Synonyms> (383)
N/A

>  <Target> (383)
DNA methyltransferase 3A,hsp90

>  <Form> (383)
free base

>  <CAS> (383)
505054-90-0

>  <URL> (383)
N/A

$$$$
WAY-353519
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.8042  -11.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (384)
384

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N/A

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sirtuin

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free base

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690247-68-8

>  <URL> (384)
N/A

$$$$
WAY-354574
csChFnd80/09261916232D

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385

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WAY-354574

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N/A

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SIRT2

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free base

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851873-40-0

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N/A

$$$$
WAY-354875
csChFnd80/09261916232D

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>  <Mol_ID> (386)
386

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>  <MolWeight> (386)
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>  <Name> (386)
WAY-354875

>  <Synonyms> (386)
N/A

>  <Target> (386)
SIRT1

>  <Form> (386)
free base

>  <CAS> (386)
720672-18-4

>  <URL> (386)
N/A

$$$$
WAY-358008
csChFnd80/09261916232D

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>  <Mol_ID> (387)
387

>  <Formula> (387)
C17H15N3O3S

>  <MolWeight> (387)
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>  <Cat> (387)
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>  <Name> (387)
WAY-358008

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N/A

>  <Target> (387)
microRNA

>  <Form> (387)
free base

>  <CAS> (387)
303018-40-8

>  <URL> (387)
N/A

$$$$
WAY-359061
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
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>  <Name> (388)
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>  <Synonyms> (388)
N/A

>  <Target> (388)
microRNA

>  <Form> (388)
free base

>  <CAS> (388)
307509-59-7

>  <URL> (388)
N/A

$$$$
WAY-380064-A
csChFnd80/09261916232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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389

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free base

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380192-76-7

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N/A

$$$$
WAY-382052
csChFnd80/09261916232D

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N/A

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microRNA

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free base

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536713-36-7

>  <URL> (390)
N/A

$$$$
WAY-616361
csChFnd80/09261916232D

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>  <Mol_ID> (391)
391

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C17H16N4O2

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308.33454

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P3654

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WAY-616361

>  <Synonyms> (391)
N/A

>  <Target> (391)
ARTD3,PARP-1

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free base

>  <CAS> (391)
730949-09-4

>  <URL> (391)
N/A

$$$$
WL-231219
csChFnd80/09261916232D

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N/A

>  <Target> (392)
HDAC

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free base

>  <CAS> (392)
842955-63-9

>  <URL> (392)
N/A

$$$$
WAY-623944
csChFnd80/09261916232D

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393

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C23H20N4O3S

>  <MolWeight> (393)
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WAY-623944

>  <Synonyms> (393)
N/A

>  <Target> (393)
microRNA

>  <Form> (393)
free base

>  <CAS> (393)
438599-31-6

>  <URL> (393)
N/A

$$$$
WAY-643116
csChFnd80/09261916232D

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394

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>  <Name> (394)
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>  <Synonyms> (394)
N/A

>  <Target> (394)
microRNA

>  <Form> (394)
free base

>  <CAS> (394)
850020-01-8

>  <URL> (394)
N/A

$$$$
WAY-334681-A
csChFnd80/09261916232D

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736950-05-3

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N/A

$$$$
WAY-334725
csChFnd80/09261916232D

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microRNA

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free base

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742116-35-4

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N/A

$$$$
WAY-625138
csChFnd80/09261916232D

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microRNA

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free base

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756865-61-9

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N/A

$$$$
WAY-273429
csChFnd80/09261916232D

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>  <Mol_ID> (398)
398

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>  <Target> (398)
AMPK

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free base

>  <CAS> (398)
525607-71-0

>  <URL> (398)
N/A

$$$$
WAY-273431
csChFnd80/09261916232D

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>  <Target> (399)
AMPK

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free base

>  <CAS> (399)
525608-36-0

>  <URL> (399)
N/A

$$$$
WAY-277306
csChFnd80/09261916232D

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 10  3  2  0  0  0  0
 11  2  1  0  0  0  0
 12  9  2  0  0  0  0
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 16  8  1  0  0  0  0
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 10 12  1  0  0  0  0
 15 14  1  0  0  0  0
 22 24  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C19H15N5

>  <MolWeight> (400)
313.3559

>  <Cat> (400)
P3559

>  <Name> (400)
WAY-277306

>  <Synonyms> (400)
N/A

>  <Target> (400)
EZH2

>  <Form> (400)
free base

>  <CAS> (400)
763096-21-5

>  <URL> (400)
N/A

$$$$
WAY-335492
csChFnd80/09261916232D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C20H27FN2O2

>  <MolWeight> (401)
346.4389832

>  <Cat> (401)
P3622

>  <Name> (401)
WAY-335492

>  <Synonyms> (401)
N/A

>  <Target> (401)
microRNA

>  <Form> (401)
free base

>  <CAS> (401)
786725-13-1

>  <URL> (401)
N/A

$$$$
WAY-629450-A
csChFnd80/09261916232D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C16H17NO

>  <MolWeight> (402)
239.31228

>  <Cat> (402)
P3659

>  <Name> (402)
WAY-629450-A

>  <Synonyms> (402)
N/A

>  <Target> (402)
HDAC

>  <Form> (402)
free base

>  <CAS> (402)
851901-67-2

>  <URL> (402)
N/A

$$$$
CL-224747
csChFnd80/09261916232D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C9H8N2O

>  <MolWeight> (403)
160.17262

>  <Cat> (403)
P3539

>  <Name> (403)
CL-224747

>  <Synonyms> (403)
N/A

>  <Target> (403)
PARP

>  <Form> (403)
free base

>  <CAS> (403)
802981-45-9

>  <URL> (403)
N/A

$$$$
WAY-339491
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
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 15  5  2  0  0  0  0
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 21  9  1  0  0  0  0
 22  6  2  0  0  0  0
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  4  6  1  0  0  0  0
 13 25  2  0  0  0  0
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M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C21H17N3O3S

>  <MolWeight> (404)
391.44298

>  <Cat> (404)
P3624

>  <Name> (404)
WAY-339491

>  <Synonyms> (404)
N/A

>  <Target> (404)
histone acetyl transferase,sirtuin

>  <Form> (404)
free base

>  <CAS> (404)
863589-21-3

>  <URL> (404)
N/A

$$$$
WAY-339495
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C21H17N3O3S

>  <MolWeight> (405)
391.44298

>  <Cat> (405)
P3625

>  <Name> (405)
WAY-339495

>  <Synonyms> (405)
N/A

>  <Target> (405)
histone acetyl transferase,sirtuin

>  <Form> (405)
free base

>  <CAS> (405)
863589-28-0

>  <URL> (405)
N/A

$$$$
WAY-339500
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.2214    6.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6650    7.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3968    6.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6006    5.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2757    7.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0111    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    7.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5026    9.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2343    8.6648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    6.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    6.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160    8.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256    7.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2069    6.6858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    7.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2068    8.0135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5186    7.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9051    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7274    6.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7848    7.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9554    7.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7112    8.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5334    8.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  8  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 16 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 11  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C21H17N3O3S

>  <MolWeight> (406)
391.44298

>  <Cat> (406)
P3626

>  <Name> (406)
WAY-339500

>  <Synonyms> (406)
N/A

>  <Target> (406)
histone acetyl transferase,sirtuin

>  <Form> (406)
free base

>  <CAS> (406)
863589-44-0

>  <URL> (406)
N/A

$$$$
WAY-339503
csChFnd80/09261916232D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19  6  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
  4  6  1  0  0  0  0
 11 23  2  0  0  0  0
 26 22  2  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C20H15N3O2S

>  <MolWeight> (407)
361.417

>  <Cat> (407)
P3627

>  <Name> (407)
WAY-339503

>  <Synonyms> (407)
N/A

>  <Target> (407)
histone acetyl transferase,sirtuin

>  <Form> (407)
free base

>  <CAS> (407)
863589-52-0

>  <URL> (407)
N/A

$$$$
WAY-613308
csChFnd80/09261916232D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
  7  3  2  0  0  0  0
  9 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C18H14O4

>  <MolWeight> (408)
294.30136

>  <Cat> (408)
P3651

>  <Name> (408)
WAY-613308

>  <Synonyms> (408)
N/A

>  <Target> (408)
HDAC

>  <Form> (408)
free base

>  <CAS> (408)
503040-22-0

>  <URL> (408)
N/A

$$$$
WAY-613419
csChFnd80/09261916232D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -1.1048   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297   -1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703   -2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290   -0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641   -0.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    2.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
 10 13  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C9H8N2OS

>  <MolWeight> (409)
192.23762

>  <Cat> (409)
P3652

>  <Name> (409)
WAY-613419

>  <Synonyms> (409)
N/A

>  <Target> (409)
Anti-infection,PARP,Adenosine Receptor

>  <Form> (409)
free base

>  <CAS> (409)
14346-25-9

>  <URL> (409)
N/A

$$$$
WAY-630921
csChFnd80/09261916232D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7 12  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 20  2  0  0  0  0
 16  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  6  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  2  0  0  0  0
 24 21  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C19H19N3O2

>  <MolWeight> (410)
321.37306

>  <Cat> (410)
P3660

>  <Name> (410)
WAY-630921

>  <Synonyms> (410)
N/A

>  <Target> (410)
PARP

>  <Form> (410)
free base

>  <CAS> (410)
743451-47-0

>  <URL> (410)
N/A

$$$$
WAY-631668
csChFnd80/09261916232D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.4583   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C27H26N4O2

>  <MolWeight> (411)
438.52094

>  <Cat> (411)
P3661

>  <Name> (411)
WAY-631668

>  <Synonyms> (411)
N/A

>  <Target> (411)
DOT1L

>  <Form> (411)
free base

>  <CAS> (411)
736189-79-0

>  <URL> (411)
N/A

$$$$
WAY-631878
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C15H16N4O3

>  <MolWeight> (412)
300.31254

>  <Cat> (412)
P3662

>  <Name> (412)
WAY-631878

>  <Synonyms> (412)
N/A

>  <Target> (412)
BET

>  <Form> (412)
free base

>  <CAS> (412)
568567-43-1

>  <URL> (412)
N/A

$$$$
WAY-650876
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C13H11N3O3S

>  <MolWeight> (413)
289.30974

>  <Cat> (413)
P3670

>  <Name> (413)
WAY-650876

>  <Synonyms> (413)
N/A

>  <Target> (413)
HDAC6

>  <Form> (413)
free base

>  <CAS> (413)
848065-95-2

>  <URL> (413)
N/A

$$$$
WAY-270360
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
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 19  6  1  0  0  0  0
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M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C22H19N3O3

>  <MolWeight> (414)
373.40456

>  <Cat> (414)
P3549

>  <Name> (414)
WAY-270360

>  <Synonyms> (414)
N/A

>  <Target> (414)
histone acetyl transferase,sirtuin

>  <Form> (414)
free base

>  <CAS> (414)
476633-98-4

>  <URL> (414)
N/A

$$$$
WAY-270374
csChFnd80/09261916232D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
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 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C15H14F2N2O3S

>  <MolWeight> (415)
340.3450664

>  <Cat> (415)
P3550

>  <Name> (415)
WAY-270374

>  <Synonyms> (415)
N/A

>  <Target> (415)
microRNA

>  <Form> (415)
free base

>  <CAS> (415)
476643-66-0

>  <URL> (415)
N/A

$$$$
WAY-270582
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    1.7792    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    2.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7167    2.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2000    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8125    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3125    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 14  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13  5  2  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 21 20  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  2  0  0  0  0
 25 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 23  2  0  0  0  0
 28 22  2  0  0  0  0
  7  9  2  0  0  0  0
 14 24  1  0  0  0  0
 28 27  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C22H19N3O3

>  <MolWeight> (416)
373.40456

>  <Cat> (416)
P3551

>  <Name> (416)
WAY-270582

>  <Synonyms> (416)
N/A

>  <Target> (416)
HAT,sirtuin

>  <Form> (416)
free base

>  <CAS> (416)
477493-06-4

>  <URL> (416)
N/A

$$$$
WAY-270603
csChFnd80/09261916232D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   -4.7500    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 23  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 24  2  0  0  0  0
 10  9  2  0  0  0  0
 22 18  2  0  0  0  0
 29 30  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C23H21N3O4

>  <MolWeight> (417)
403.43054

>  <Cat> (417)
P3552

>  <Name> (417)
WAY-270603

>  <Synonyms> (417)
N/A

>  <Target> (417)
glucose transporter PfHT,HAT,sirtuin

>  <Form> (417)
free base

>  <CAS> (417)
303141-65-3

>  <URL> (417)
N/A

$$$$
WAY-601310
csChFnd80/09261916232D

 15 17  0  0  0  0  0  0  0  0999 V2000
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   -1.8244   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 15 11  2  0  0  0  0
 14 10  2  0  0  0  0
 13  9  1  0  0  0  0
  6 12  2  0  0  0  0
 11  5  1  0  0  0  0
 10  5  1  0  0  0  0
  9  4  2  0  0  0  0
  3  8  2  0  0  0  0
  7  3  1  0  0  0  0
  6  2  1  0  0  0  0
  5  2  2  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C11H9N3O

>  <MolWeight> (418)
199.20866

>  <Cat> (418)
P3643

>  <Name> (418)
WAY-601310

>  <Synonyms> (418)
N/A

>  <Target> (418)
PARP

>  <Form> (418)
free base

>  <CAS> (418)
25468-50-2

>  <URL> (418)
N/A

$$$$
WAY-601411
csChFnd80/09261916232D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9792    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0208   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  2  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 19  1  0  0  0  0
 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 29 18  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
  5  4  2  0  0  0  0
 25 16  1  0  0  0  0
 31 30  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C23H26N4O4

>  <MolWeight> (419)
422.47694

>  <Cat> (419)
P3644

>  <Name> (419)
WAY-601411

>  <Synonyms> (419)
N/A

>  <Target> (419)
HAT,sirtuin

>  <Form> (419)
free base

>  <CAS> (419)
717120-17-7

>  <URL> (419)
N/A

$$$$
WAY-601037-A
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    4.3792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3042    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2292   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1917    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6500    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19  9  1  0  0  0  0
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M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C22H26N2O

>  <MolWeight> (420)
334.45464

>  <Cat> (420)
P3641

>  <Name> (420)
WAY-601037

>  <Synonyms> (420)
N/A

>  <Target> (420)
DNA Methyltransferase 1

>  <Form> (420)
free base

>  <CAS> (420)
300590-63-0

>  <URL> (420)
N/A

$$$$
WAY-601116
csChFnd80/09261916232D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 17  2  0  0  0  0
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 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 27  2  0  0  0  0
  6  5  1  0  0  0  0
 28 20  2  0  0  0  0
 25 19  2  0  0  0  0
 29 26  1  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C23H18N2O4

>  <MolWeight> (421)
386.40002

>  <Cat> (421)
P3642

>  <Name> (421)
WAY-601116

>  <Synonyms> (421)
N/A

>  <Target> (421)
microRNA

>  <Form> (421)
free base

>  <CAS> (421)
353763-50-5

>  <URL> (421)
N/A

$$$$
WAY-601673
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
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 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
  7 11  1  0  0  0  0
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 12 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C20H26ClN3O

>  <MolWeight> (422)
359.89294

>  <Cat> (422)
P3645

>  <Name> (422)
WAY-601673

>  <Synonyms> (422)
N/A

>  <Target> (422)
HIF PHD,Prolylhydroxylase

>  <Form> (422)
free base

>  <CAS> (422)
380192-95-0

>  <URL> (422)
N/A

$$$$
WAY-615693
csChFnd80/09261916232D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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 10 17  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
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  6  4  1  0  0  0  0
 21 19  1  0  0  0  0
 11  7  1  0  0  0  0
 16 10  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C21H24N4S

>  <MolWeight> (423)
364.50706

>  <Cat> (423)
P3653

>  <Name> (423)
WAY-615693

>  <Synonyms> (423)
N/A

>  <Target> (423)
MLL protein and menin interaction

>  <Form> (423)
free base

>  <CAS> (423)
568575-51-9

>  <URL> (423)
N/A

$$$$
WAY-632889
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 14  5  2  0  0  0  0
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 16  6  1  0  0  0  0
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 25 24  1  0  0  0  0
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 12  8  2  0  0  0  0
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M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C18H11BrN2O4

>  <MolWeight> (424)
399.19494

>  <Cat> (424)
P3663

>  <Name> (424)
WAY-632889

>  <Synonyms> (424)
N/A

>  <Target> (424)
microRNA

>  <Form> (424)
free base

>  <CAS> (424)
784169-89-7

>  <URL> (424)
N/A

$$$$
WAY-633558
csChFnd80/09261916232D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  4  2  1  0  0  0  0
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  7 11  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
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 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C15H15N5S

>  <MolWeight> (425)
297.3781

>  <Cat> (425)
P3664

>  <Name> (425)
WAY-633558

>  <Synonyms> (425)
N/A

>  <Target> (425)
MLL protein and menin interaction

>  <Form> (425)
free base

>  <CAS> (425)
786715-29-5

>  <URL> (425)
N/A

$$$$
WAY-652291
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
  7 10  1  0  0  0  0
  4  6  1  0  0  0  0
 11 12  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (426)
426

>  <Formula> (426)
C18H17N3O4

>  <MolWeight> (426)
339.34528

>  <Cat> (426)
P3671

>  <Name> (426)
WAY-652291

>  <Synonyms> (426)
N/A

>  <Target> (426)
BET Bromodomain

>  <Form> (426)
free base

>  <CAS> (426)
854137-39-6

>  <URL> (426)
N/A

$$$$
WAY-652941
csChFnd80/09261916232D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   -3.4458    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22  9  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
 19 21  1  0  0  0  0
  5  4  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C19H20N4O4S

>  <MolWeight> (427)
400.4515

>  <Cat> (427)
P3672

>  <Name> (427)
WAY-652941

>  <Synonyms> (427)
N/A

>  <Target> (427)
PARP,Rac1

>  <Form> (427)
free base

>  <CAS> (427)
854022-49-4

>  <URL> (427)
N/A

$$$$
WAY-271933
csChFnd80/09261916232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  2  0  0  0  0
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  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 20  2  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
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 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  1  0  0  0  0
 21 16  2  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C15H15N5O2S

>  <MolWeight> (428)
329.3769

>  <Cat> (428)
P3553

>  <Name> (428)
WAY-271933

>  <Synonyms> (428)
N/A

>  <Target> (428)
DOT1L

>  <Form> (428)
free base

>  <CAS> (428)
612525-79-8

>  <URL> (428)
N/A

$$$$
WAY-272124
csChFnd80/09261916232D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.4917    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0167   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9042    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8667   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5917    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21  6  2  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  3  5  1  0  0  0  0
 16 17  2  0  0  0  0
 19 28  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C24H23N3O4

>  <MolWeight> (429)
417.45712

>  <Cat> (429)
P3554

>  <Name> (429)
WAY-272124

>  <Synonyms> (429)
N/A

>  <Target> (429)
histone acetyl transferase,sirtuin

>  <Form> (429)
free base

>  <CAS> (429)
694469-31-3

>  <URL> (429)
N/A

$$$$
WAY-272172
csChFnd80/09261916232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   11.0042    4.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.9042    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750    6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    6.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   11.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   13.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13 18  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  4  5  1  0  0  0  0
 17 14  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C17H18N2O3S

>  <MolWeight> (430)
330.40142

>  <Cat> (430)
P3555

>  <Name> (430)
WAY-272172

>  <Synonyms> (430)
N/A

>  <Target> (430)
microRNA

>  <Form> (430)
free base

>  <CAS> (430)
702650-31-5

>  <URL> (430)
N/A

$$$$
WAY-272277
csChFnd80/09261916232D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.5358    6.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7150    6.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9773    7.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9194    5.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3315    7.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2761    5.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5912    7.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7996    7.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4684    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6650    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2343    7.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811    8.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    8.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303    9.3211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   11.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197   10.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366   10.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   11.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481   11.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484   10.4610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9281   10.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123   10.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276   11.5358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6219   10.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479   10.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8930   10.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5061   11.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773   11.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 20 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 16 31  1  0  0  0  0
 27 15  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C24H23N3O4

>  <MolWeight> (431)
417.45712

>  <Cat> (431)
P3556

>  <Name> (431)
WAY-272277

>  <Synonyms> (431)
N/A

>  <Target> (431)
histone acetyl transferase,sirtuin

>  <Form> (431)
free base

>  <CAS> (431)
708995-11-3

>  <URL> (431)
N/A

$$$$
WAY-320144
csChFnd80/09261916232D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3962    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4659    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    1.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    0.4140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    0.7761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142    3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763   -0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -0.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -1.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142   -2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142   -3.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -1.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038   -2.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349   -3.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 18 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C23H21N3O4

>  <MolWeight> (432)
403.43054

>  <Cat> (432)
P3595

>  <Name> (432)
WAY-320144

>  <Synonyms> (432)
N/A

>  <Target> (432)
histone acetyl transferase,sirtuin

>  <Form> (432)
free base

>  <CAS> (432)
313275-18-2

>  <URL> (432)
N/A

$$$$
WAY-320391
csChFnd80/09261916232D

 27 31  0  0  0  0  0  0  0  0999 V2000
    2.2500   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -4.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19  3  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
  8  7  1  0  0  0  0
 16 15  1  0  0  0  0
  9  4  1  0  0  0  0
 14 12  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C20H18ClN3O2S

>  <MolWeight> (433)
399.89382

>  <Cat> (433)
P3596

>  <Name> (433)
WAY-320391

>  <Synonyms> (433)
N/A

>  <Target> (433)
DNA Methyltransferase 1

>  <Form> (433)
free base

>  <CAS> (433)
488825-25-8

>  <URL> (433)
N/A

$$$$
WAY-601986
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0583    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C19H14N4OS

>  <MolWeight> (434)
346.40566

>  <Cat> (434)
P3646

>  <Name> (434)
WAY-601986

>  <Synonyms> (434)
N/A

>  <Target> (434)
PARP

>  <Form> (434)
free base

>  <CAS> (434)
375394-80-2

>  <URL> (434)
N/A

$$$$
WAY-603231
csChFnd80/09261916232D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
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 11  5  1  0  0  0  0
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 13 10  3  0  0  0  0
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 11  9  2  0  0  0  0
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M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C18H10N2O2S

>  <MolWeight> (435)
318.3492

>  <Cat> (435)
P3647

>  <Name> (435)
WAY-603231

>  <Synonyms> (435)
N/A

>  <Target> (435)
sirtuin,HAT

>  <Form> (435)
free base

>  <CAS> (435)
327104-77-8

>  <URL> (435)
N/A

$$$$
SD-57881
csChFnd80/09261916232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
  8  2  1  0  0  0  0
 17 18  1  0  0  0  0
  1  9  1  0  0  0  0
 18 19  1  0  0  0  0
  9  7  2  0  0  0  0
 18 20  2  0  0  0  0
 19  7  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
 16 17  1  0  0  0  0
 10 11  2  0  0  0  0
 16 21  2  0  0  0  0
  5  6  2  0  0  0  0
 16 22  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C15H13N3O3S2

>  <MolWeight> (436)
347.41202

>  <Cat> (436)
P3544

>  <Name> (436)
SD-57881

>  <Synonyms> (436)
N/A

>  <Target> (436)
zinc metalloenzyme

>  <Form> (436)
free base

>  <CAS> (436)
349415-77-6

>  <URL> (436)
N/A

$$$$
WAY-320884
csChFnd80/09261916232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  4  6  1  0  0  0  0
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 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C16H19N3O4S

>  <MolWeight> (437)
349.40476

>  <Cat> (437)
P3597

>  <Name> (437)
WAY-320884

>  <Synonyms> (437)
N/A

>  <Target> (437)
sirtuin 5

>  <Form> (437)
free base

>  <CAS> (437)
450356-20-4

>  <URL> (437)
N/A

$$$$
WAY-321539
csChFnd80/09261916232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
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  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 11 12  2  0  0  0  0
  8  7  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C15H15N5O2

>  <MolWeight> (438)
297.3119

>  <Cat> (438)
P3598

>  <Name> (438)
WAY-321539

>  <Synonyms> (438)
N/A

>  <Target> (438)
STAT3

>  <Form> (438)
free base

>  <CAS> (438)
332074-13-2

>  <URL> (438)
N/A

$$$$
WAY-321927
csChFnd80/09261916232D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    6.8000   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  3  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 24  2  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26  9  1  0  0  0  0
 27 10  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  5 10  1  0  0  0  0
  7  4  2  0  0  0  0
 31 27  2  0  0  0  0
 13 18  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C25H25N5O

>  <MolWeight> (439)
411.4989

>  <Cat> (439)
P3599

>  <Name> (439)
WAY-321927

>  <Synonyms> (439)
N/A

>  <Target> (439)
EZH2

>  <Form> (439)
free base

>  <CAS> (439)
342780-77-2

>  <URL> (439)
N/A

$$$$
WAY-321944
csChFnd80/09261916232D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6143   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4650    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9557   -0.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0029    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0029    1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029    0.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    1.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    2.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C17H16N2O3

>  <MolWeight> (440)
296.32054

>  <Cat> (440)
P3600

>  <Name> (440)
WAY-321944

>  <Synonyms> (440)
N/A

>  <Target> (440)
BRD4,Anti-infection

>  <Form> (440)
free base

>  <CAS> (440)
10001-31-7

>  <URL> (440)
N/A

$$$$
WAY-322593
csChFnd80/09261916232D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8681    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    4.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    9.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    4.8337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    6.2524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   10.4475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3404    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3786    2.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0115    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8471    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 10  4  1  0  0  0  0
  3  5  2  0  0  0  0
 17 20  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C19H17ClN2O

>  <MolWeight> (441)
324.80408

>  <Cat> (441)
P3601

>  <Name> (441)
WAY-322593

>  <Synonyms> (441)
N/A

>  <Target> (441)
HIF PHD,apoptosis

>  <Form> (441)
free base

>  <CAS> (441)
501017-82-9

>  <URL> (441)
N/A

$$$$
WAY-322757
csChFnd80/09261916232D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.0792   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4667   -9.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 26  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  2  0  0  0  0
 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 29  1  0  0  0  0
 33 31  1  0  0  0  0
 10  5  2  0  0  0  0
  8  7  1  0  0  0  0
 14 23  2  0  0  0  0
 33 32  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C25H21N5O3

>  <MolWeight> (442)
439.46594

>  <Cat> (442)
P3602

>  <Name> (442)
WAY-322757

>  <Synonyms> (442)
N/A

>  <Target> (442)
MLL-menin interaction

>  <Form> (442)
free base

>  <CAS> (442)
683806-57-7

>  <URL> (442)
N/A

$$$$
WAY-323061
csChFnd80/09261916232D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.9292    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9792    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2958    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8208    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
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  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 15  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 19  2  0  0  0  0
 28 20  2  0  0  0  0
 29 22  2  0  0  0  0
 30 29  1  0  0  0  0
 31 25  2  0  0  0  0
 32 24  1  0  0  0  0
 33 31  1  0  0  0  0
  6  5  2  0  0  0  0
  9  7  2  0  0  0  0
 28 27  1  0  0  0  0
 32 33  2  0  0  0  0
 30 23  2  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C25H21N5O2S

>  <MolWeight> (443)
455.53154

>  <Cat> (443)
P3603

>  <Name> (443)
WAY-323061

>  <Synonyms> (443)
N/A

>  <Target> (443)
SIRT2

>  <Form> (443)
free base

>  <CAS> (443)
550301-63-8

>  <URL> (443)
N/A

$$$$
WAY-323062
csChFnd80/09261916232D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.9875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C21H22N6OS2

>  <MolWeight> (444)
438.56898

>  <Cat> (444)
P3604

>  <Name> (444)
WAY-323062

>  <Synonyms> (444)
N/A

>  <Target> (444)
SIRT2

>  <Form> (444)
free base

>  <CAS> (444)
. 522650-91-5

>  <URL> (444)
N/A

$$$$
WAY-323091
csChFnd80/09261916232D

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 10  8  1  0  0  0  0
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 15  9  2  0  0  0  0
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 23  5  2  0  0  0  0
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 29 28  2  0  0  0  0
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 20 18  2  0  0  0  0
 27 17  1  0  0  0  0
M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C22H15Cl2N3O2

>  <MolWeight> (445)
424.2794

>  <Cat> (445)
P3605

>  <Name> (445)
WAY-323091

>  <Synonyms> (445)
N/A

>  <Target> (445)
PARP

>  <Form> (445)
free base

>  <CAS> (445)
684234-55-7

>  <URL> (445)
N/A

$$$$
WAY-323092
csChFnd80/09261916232D

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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
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 14  9  1  0  0  0  0
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 16 18  2  0  0  0  0
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M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C22H15Cl2N3O2

>  <MolWeight> (446)
424.2794

>  <Cat> (446)
P3606

>  <Name> (446)
WAY-323092

>  <Synonyms> (446)
N/A

>  <Target> (446)
PARP

>  <Form> (446)
free base

>  <CAS> (446)
684234-56-8

>  <URL> (446)
N/A

$$$$
WAY-323093
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C22H15BrClN3O2

>  <MolWeight> (447)
468.7304

>  <Cat> (447)
P3607

>  <Name> (447)
WAY-323093

>  <Synonyms> (447)
N/A

>  <Target> (447)
PARP

>  <Form> (447)
free base

>  <CAS> (447)
684234-57-9

>  <URL> (447)
N/A

$$$$
WAY-323096
csChFnd80/09261916232D

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   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24  5  2  0  0  0  0
 25  6  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  6  4  1  0  0  0  0
 29 25  1  0  0  0  0
 16 19  2  0  0  0  0
 26 17  1  0  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C22H15ClFN3O2

>  <MolWeight> (448)
407.8248032

>  <Cat> (448)
P3608

>  <Name> (448)
WAY-323096

>  <Synonyms> (448)
N/A

>  <Target> (448)
PARP

>  <Form> (448)
free base

>  <CAS> (448)
684234-60-4

>  <URL> (448)
N/A

$$$$
WAY-394670
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0802    8.1301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    8.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6679    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1168    9.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1906    9.9802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    9.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7876    8.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7898    7.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0769    7.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5051    7.4723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7959    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2257    6.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6700   10.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   11.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   12.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6314   11.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718   11.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4906   10.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C19H14N4OS

>  <MolWeight> (449)
346.40566

>  <Cat> (449)
P3640

>  <Name> (449)
WAY-394670

>  <Synonyms> (449)
N/A

>  <Target> (449)
PARP

>  <Form> (449)
free base

>  <CAS> (449)
378786-16-4

>  <URL> (449)
N/A

$$$$
WAY-603656
csChFnd80/09261916232D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1667    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
  5  8  2  0  0  0  0
 10  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C11H8N2OS2

>  <MolWeight> (450)
248.32402

>  <Cat> (450)
P3648

>  <Name> (450)
WAY-603656

>  <Synonyms> (450)
N/A

>  <Target> (450)
histone acetyltransferases,Nox enzyme

>  <Form> (450)
free base

>  <CAS> (450)
717118-15-5

>  <URL> (450)
N/A

$$$$
WAY-603657
csChFnd80/09261916232D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.3833    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
  6  8  2  0  0  0  0
 10  9  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C14H8N2OS2

>  <MolWeight> (451)
284.35612

>  <Cat> (451)
P3649

>  <Name> (451)
WAY-603657

>  <Synonyms> (451)
N/A

>  <Target> (451)
histone acetyltransferases

>  <Form> (451)
free base

>  <CAS> (451)
100527-13-7

>  <URL> (451)
N/A

$$$$
WAY-638078
csChFnd80/09261916232D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.3750   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0542   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9125    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6250    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  2  0  0  0  0
 23 17  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C20H22N4O2

>  <MolWeight> (452)
350.41428

>  <Cat> (452)
P3665

>  <Name> (452)
WAY-638078

>  <Synonyms> (452)
N/A

>  <Target> (452)
PARP

>  <Form> (452)
free base

>  <CAS> (452)
794562-86-0

>  <URL> (452)
N/A

$$$$
WAY-655845
csChFnd80/09261916232D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6458    1.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (453)
453

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C17H21N3O3S2

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379.49694

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WAY-655845

>  <Synonyms> (453)
N/A

>  <Target> (453)
SIRT2

>  <Form> (453)
free base

>  <CAS> (453)
865267-78-3

>  <URL> (453)
N/A

$$$$
WAY-657361
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C17H15N3O4

>  <MolWeight> (454)
325.3187

>  <Cat> (454)
P3674

>  <Name> (454)
WAY-657361

>  <Synonyms> (454)
N/A

>  <Target> (454)
BET Bromodomain

>  <Form> (454)
free base

>  <CAS> (454)
852957-78-9

>  <URL> (454)
N/A

$$$$
WAY-323744
csChFnd80/09261916232D

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 11  4  2  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C20H15N3O5S

>  <MolWeight> (455)
409.4152

>  <Cat> (455)
P3609

>  <Name> (455)
WAY-323744

>  <Synonyms> (455)
N/A

>  <Target> (455)
EZH2

>  <Form> (455)
free base

>  <CAS> (455)
854134-90-0

>  <URL> (455)
N/A

$$$$
WAY-324030
csChFnd80/09261916232D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C15H16N2O

>  <MolWeight> (456)
240.30034

>  <Cat> (456)
P3610

>  <Name> (456)
WAY-324030

>  <Synonyms> (456)
N/A

>  <Target> (456)
CBP/EP300 

>  <Form> (456)
free base

>  <CAS> (456)
92579-34-5

>  <URL> (456)
N/A

$$$$
WAY-324142
csChFnd80/09261916232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C19H15N3O2S

>  <MolWeight> (457)
349.4063

>  <Cat> (457)
P3611

>  <Name> (457)
WAY-324142

>  <Synonyms> (457)
N/A

>  <Target> (457)
HAT,sirtuin

>  <Form> (457)
free base

>  <CAS> (457)
667910-69-2

>  <URL> (457)
N/A

$$$$
WAY-324168
csChFnd80/09261916232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (458)
458

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C20H18N2O6

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382.36672

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P3612

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WAY-324168

>  <Synonyms> (458)
N/A

>  <Target> (458)
microtubule

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free base

>  <CAS> (458)
663214-48-0

>  <URL> (458)
N/A

$$$$
WAY-324205
csChFnd80/09261916232D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C25H30N2O2

>  <MolWeight> (459)
390.5179

>  <Cat> (459)
P3614

>  <Name> (459)
WAY-324205

>  <Synonyms> (459)
N/A

>  <Target> (459)
SIRT2

>  <Form> (459)
free base

>  <CAS> (459)
1005095-05-5

>  <URL> (459)
N/A

$$$$
WAY-324359
csChFnd80/09261916232D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C23H18ClN3O2

>  <MolWeight> (460)
403.86092

>  <Cat> (460)
P3615

>  <Name> (460)
WAY-324359

>  <Synonyms> (460)
N/A

>  <Target> (460)
PARP

>  <Form> (460)
free base

>  <CAS> (460)
836640-15-4

>  <URL> (460)
N/A

$$$$
WAY-324979
csChFnd80/09261916232D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C14H13ClN4S

>  <MolWeight> (461)
304.79782

>  <Cat> (461)
P3616

>  <Name> (461)
WAY-324979

>  <Synonyms> (461)
N/A

>  <Target> (461)
MicroRNA

>  <Form> (461)
free base

>  <CAS> (461)
221120-57-6

>  <URL> (461)
N/A

$$$$
WAY-620473
csChFnd80/09261916232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C17H20N4O3

>  <MolWeight> (462)
328.3657

>  <Cat> (462)
P3655

>  <Name> (462)
WAY-620473

>  <Synonyms> (462)
N/A

>  <Target> (462)
PARP-1

>  <Form> (462)
free base

>  <CAS> (462)
743451-55-0

>  <URL> (462)
N/A

$$$$
WAY-639320
csChFnd80/09261916232D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 15 12  1  0  0  0  0
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 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C17H16N8S

>  <MolWeight> (463)
364.42754

>  <Cat> (463)
P3666

>  <Name> (463)
WAY-639320

>  <Synonyms> (463)
N/A

>  <Target> (463)
MicroRNA

>  <Form> (463)
free base

>  <CAS> (463)
796060-12-3

>  <URL> (463)
N/A

$$$$
WAY-639432
csChFnd80/09261916232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
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  9 11  2  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
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  9 12  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C21H19NO2

>  <MolWeight> (464)
317.38106

>  <Cat> (464)
P3667

>  <Name> (464)
WAY-639432

>  <Synonyms> (464)
N/A

>  <Target> (464)
EZH2

>  <Form> (464)
free base

>  <CAS> (464)
796050-78-7

>  <URL> (464)
N/A

$$$$
WAY-659224
csChFnd80/09261916232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  2  5  1  0  0  0  0
 17 11  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C16H18N2O4

>  <MolWeight> (465)
302.32512

>  <Cat> (465)
P3675

>  <Name> (465)
WAY-659224

>  <Synonyms> (465)
N/A

>  <Target> (465)
HDAC

>  <Form> (465)
free base

>  <CAS> (465)
864853-56-5

>  <URL> (465)
N/A

$$$$
WAY-326107
csChFnd80/09261916232D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.2436    2.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419    3.6880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0171    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 22  2  0  0  0  0
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 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
  5  8  2  0  0  0  0
  3  7  2  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C17H16F2N4O2

>  <MolWeight> (466)
346.3313464

>  <Cat> (466)
P3618

>  <Name> (466)
WAY-326107

>  <Synonyms> (466)
N/A

>  <Target> (466)
MicroRNA

>  <Form> (466)
free base

>  <CAS> (466)
869714-54-5

>  <URL> (466)
N/A

$$$$
WAY-327520
csChFnd80/09261916232D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 17  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
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  5  3  2  0  0  0  0
  7 10  2  0  0  0  0
 22 21  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C17H18N4O

>  <MolWeight> (467)
294.35102

>  <Cat> (467)
P3619

>  <Name> (467)
WAY-327520

>  <Synonyms> (467)
N/A

>  <Target> (467)
BRD4-TAF1

>  <Form> (467)
free base

>  <CAS> (467)
876710-97-3

>  <URL> (467)
N/A

$$$$
WAY-608116
csChFnd80/09261916232D

 19 22  0  0  0  0  0  0  0  0999 V2000
    1.0792   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C14H10N4S

>  <MolWeight> (468)
266.321

>  <Cat> (468)
P3650

>  <Name> (468)
WAY-608116

>  <Synonyms> (468)
N/A

>  <Target> (468)
BRD4

>  <Form> (468)
free base

>  <CAS> (468)
380546-70-3

>  <URL> (468)
N/A

$$$$
WAY-621850
csChFnd80/09261916232D

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 10  8  1  0  0  0  0
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 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C21H21FN4O2

>  <MolWeight> (469)
380.4154432

>  <Cat> (469)
P3656

>  <Name> (469)
WAY-621850

>  <Synonyms> (469)
N/A

>  <Target> (469)
PARP

>  <Form> (469)
free base

>  <CAS> (469)
745035-11-4

>  <URL> (469)
N/A

$$$$
WAY-641015
csChFnd80/09261916232D

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M  END
>  <Mol_ID> (470)
470

>  <Formula> (470)
C16H15N3O2

>  <MolWeight> (470)
281.3092

>  <Cat> (470)
P3668

>  <Name> (470)
WAY-641015

>  <Synonyms> (470)
N/A

>  <Target> (470)
EZH2/EZH1,BasE,acetyl CoA carboxylase

>  <Form> (470)
free base

>  <CAS> (470)
851175-95-6

>  <URL> (470)
N/A

$$$$
