ABT-888(Veliparib).cdx
csChFnd80/05071909432D

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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
csChFnd80/05071909432D

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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
csChFnd80/05071909432D

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>  <Mol_ID> (3)
25

>  <Formula> (3)
C18H20N2O3

>  <MolWeight> (3)
312.363

>  <Cat> (3)
S2244

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

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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
csChFnd80/05071909432D

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>  <Mol_ID> (4)
31

>  <Formula> (4)
C14H20N2O3

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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
csChFnd80/05071909432D

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>  <Mol_ID> (5)
32

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
464.58642

>  <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
csChFnd80/05071909432D

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>  <Target> (6)
HDAC 

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>  <CAS> (6)
209783-80-2

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untitled.cdx
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>  <Mol_ID> (7)
36

>  <Formula> (7)
C32H29N5O2

>  <MolWeight> (7)
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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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csChFnd80/05071909432D

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>  <Mol_ID> (8)
38

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C24H23FN4O3

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Olaparib (AZD2281, Ku-0059436)

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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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>  <Mol_ID> (9)
52

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

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

>  <URL> (9)
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$$$$
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783355-60-2

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C22H25N3O3

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404951-53-7

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331771-20-1

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

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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

$$$$
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>  <Mol_ID> (20)
79

>  <Formula> (20)
C27H20ClFN4O4

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S1133

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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
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>  <Mol_ID> (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

$$$$
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>  <Mol_ID> (22)
87

>  <Formula> (22)
C17H14N2O3

>  <MolWeight> (22)
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>  <Cat> (22)
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>  <Name> (22)
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>  <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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90

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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
csChFnd80/05071909432D

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>  <Mol_ID> (24)
101

>  <Formula> (24)
C18H20N6OS

>  <MolWeight> (24)
368.456

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S1171

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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
csChFnd80/05071909432D

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>  <Mol_ID> (25)
110

>  <Formula> (25)
C21H25N7

>  <MolWeight> (25)
375.4701

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S1181

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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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csChFnd80/05071909432D

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>  <Mol_ID> (26)
120

>  <Formula> (26)
C24H26N4O4

>  <MolWeight> (26)
434.48764

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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
csChFnd80/05071909432D

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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (27)
123

>  <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
csChFnd80/05071909432D

 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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 12 13  1  0  0  0  0
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 11 15  1  0  0  0  0
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 17 24  1  1  0  0  0
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M  END
>  <Mol_ID> (28)
140

>  <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
csChFnd80/05071909432D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
146

>  <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
csChFnd80/05071909432D

  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)
188

>  <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
csChFnd80/05071909432D

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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (31)
251

>  <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
csChFnd80/05071909432D

 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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M  END
>  <Mol_ID> (32)
264

>  <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
csChFnd80/05071909432D

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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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1158838-45-9

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http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

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PHA-680632

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>  <Target> (34)
Aurora Kinase

>  <Form> (34)
Free Base

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398493-79-3

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

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>  <Target> (35)
HIF

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808118-40-3

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

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HDAC 

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852475-26-4

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

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1092499-93-8 (free base)

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

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/05071909432D

 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
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  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
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 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)
422

>  <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
csChFnd80/05071909432D

 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)
455

>  <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
csChFnd80/05071909432D

 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
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 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)
459

>  <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
csChFnd80/05071909432D

 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
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 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)
472

>  <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
csChFnd80/05071909432D

 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
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  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (46)
486

>  <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
csChFnd80/05071909432D

 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
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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)
532

>  <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
csChFnd80/05071909432D

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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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1000669-72-6

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

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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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PARP

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328543-09-5

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

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>  <Target> (52)
JAK 

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

>  <URL> (52)
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Pim

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1025065-69-3

>  <URL> (53)
http://www.selleckchem.com/products/SGI-1776.html

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JAK

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Free Base

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905586-69-8

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

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595

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C23H22N6O2

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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)
597

>  <Formula> (56)
C22H18O11

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>  <Cat> (56)
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>  <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)
630

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (58)
653

>  <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
csChFnd80/05071909432D

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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
664

>  <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
csChFnd80/05071909432D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (60)
679

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (61)
703

>  <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
csChFnd80/05071909432D

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704

>  <Formula> (62)
C26H35N7O2S

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509.6668

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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)
706

>  <Formula> (63)
C28H21N7OS

>  <MolWeight> (63)
503.57764

>  <Cat> (63)
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>  <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

$$$$

csChFnd80/05071909432D

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>  <Mol_ID> (64)
709

>  <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
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>  <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
csChFnd80/05071909432D

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C20H12N2O3S

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A-769662

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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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GSK1070916.cdx
csChFnd80/05071909432D

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>  <Synonyms> (69)
N/A 

>  <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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>  <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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866

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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)
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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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CEP33779

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N/A

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JAK

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Free Base

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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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$$$$
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>  <Cat> (83)
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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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>  <Target> (84)
JAK, EGFR

>  <Form> (84)
Free Base

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

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

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1138

>  <Formula> (85)
C17H18N6

>  <MolWeight> (85)
306.36502

>  <Cat> (85)
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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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N/A

>  <Target> (86)
PKC

>  <Form> (86)
Free Base

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133053-19-7

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

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

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

$$$$
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   10.0165    5.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0547    6.6398    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
  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
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (88)
1257

>  <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
csChFnd80/05071909432D

 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
    6.4398    0.3713    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
  4  1  1  0  0  0  0
  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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 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)
1265

>  <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
csChFnd80/05071909432D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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)
1334

>  <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
csChFnd80/05071909432D

 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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    4.8300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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)
1380

>  <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
csChFnd80/05071909432D

 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)
1451

>  <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
csChFnd80/05071909432D

 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
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   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
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 10 11  1  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)
1500

>  <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
csChFnd80/05071909432D

 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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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (94)
1522

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (95)
1537

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (96)
1543

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (97)
1559

>  <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

$$$$

csChFnd80/05071909432D

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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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (98)
1631

>  <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
csChFnd80/05071909432D

  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)
1707

>  <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
csChFnd80/05071909432D

  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)
1716

>  <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
csChFnd80/05071909432D

 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)
1721

>  <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
csChFnd80/05071909432D

 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)
1723

>  <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
csChFnd80/05071909432D

 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)
1789

>  <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
csChFnd80/05071909432D

 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)
1895

>  <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
csChFnd80/05071909432D

 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)
2052

>  <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
csChFnd80/05071909432D

 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
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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
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   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
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   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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    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
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    2.8254    4.2105    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)
2170

>  <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
csChFnd80/05071909432D

 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)
2222

>  <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
csChFnd80/05071909432D

 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
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   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
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   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
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   13.5283    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  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)
2239

>  <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
csChFnd80/05071909432D

 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
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1316214-52-4

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M  END
>  <Mol_ID> (113)
2308

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (114)
2321

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (115)
2325

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (116)
2365

>  <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
csChFnd80/05071909432D

  7  5  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
2380

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (118)
2428

>  <Formula> (118)
C26H31BrN8O

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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
csChFnd80/05071909432D

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>  <Mol_ID> (119)
2445

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C18H18N2O4

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326.34652

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S8043

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Scriptaid 

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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
csChFnd80/05071909432D

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>  <Mol_ID> (120)
2453

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (121)
2499

>  <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
csChFnd80/05071909432D

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C32H37N5O3

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EPZ005687

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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
csChFnd80/05071909432D

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2520

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C22H22ClN5O2

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423.89538

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S7189

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I-BET-762

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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
csChFnd80/05071909432D

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>  <Mol_ID> (124)
2521

>  <Formula> (124)
C16H10BrN3O2

>  <MolWeight> (124)
356.1735

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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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (125)
2526

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (126)
2530

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (127)
2533

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (128)
2536

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (129)
2540

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (130)
2546

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (131)
2608

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (132)
2610

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (133)
2611

>  <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
csChFnd80/05071909432D

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1431612-23-5

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http://www.selleckchem.com/products/unc1999.html

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Histone demethylases

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199596-05-9

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http://www.selleckchem.com/products/jib-04.html

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HMTase Inhibitor IX

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Histone Methyltransferase

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1417329-24-8

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

$$$$
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Pacritinib (SB1518)

>  <Synonyms> (137)
N/A

>  <Target> (137)
JAK

>  <Form> (137)
Free Base

>  <CAS> (137)
937272-79-2

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

$$$$
RG2833 (RGFP109).cdx
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RG2833 (RGFP109)

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N/A

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HDAC

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Free Base

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1215493-56-3

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

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C25H29ClN6O3

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WZ4003

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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
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SGC-CBP30

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N/A

>  <Target> (140)
Epigenetic Reader Domain

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Free Base

>  <URL> (140)
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MK8745.cdx
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885325-71-3

>  <URL> (141)
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PARP

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1445251-22-8

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

$$$$
UNC669.cdx
csChFnd80/05071909432D

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Epigenetic Reader Domain

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Free Base

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1314241-44-5

>  <URL> (143)
http://www.selleckchem.com/products/unc669.html

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OTX015.cdx
csChFnd80/05071909432D

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2678

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C25H22ClN5O2S

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OTX015

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N/A

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BET

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Free Base

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202590-98-5

>  <URL> (144)
http://www.selleckchem.com/products/otx015.html

$$$$
LM-3267.cdx
csChFnd80/05071909432D

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1403783-31-2

>  <URL> (145)
http://www.selleckchem.com/products/nexturastat-a.html

$$$$
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csChFnd80/05071909432D

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>  <CAS> (146)
89464-63-1

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

$$$$
OG-L002.cdx
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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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328968-36-1

>  <URL> (148)
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http://www.selleckchem.com/products/nuc1215.html

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CX-6258 HCl

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N/A

>  <Target> (152)
Pim

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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)
2744

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C19H18ClN5OS

>  <MolWeight> (153)
399.89712

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S7304

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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
csChFnd80/05071909432D

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>  <Mol_ID> (154)
2748

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C25H21F3N4O3S

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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
csChFnd80/05071909432D

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>  <Mol_ID> (155)
2752

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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)
2791

>  <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
csChFnd80/05071909432D

 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)
2796

>  <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
csChFnd80/05071909432D

 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)
2797

>  <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
csChFnd80/05071909432D

 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)
2798

>  <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
csChFnd80/05071909432D

 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)
2803

>  <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
csChFnd80/05071909432D

 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)
2807

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (166)
2808

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (167)
2810

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (168)
2819

>  <Formula> (168)
C25H24N4O2

>  <MolWeight> (168)
412.48366

>  <Cat> (168)
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>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (169)
2821

>  <Formula> (169)
C17H18ClN3O2

>  <MolWeight> (169)
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>  <Cat> (169)
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>  <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

$$$$
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Cerdulatinib (PRT062070, PRT2070)

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N/A

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JAK

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Hydrochloride

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

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

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MI-2 (Menin-MLL inhibitor)

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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

$$$$
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N/A

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Histone Demethylase

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Free Base

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

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

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Epigenetic Reader Domain

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1300031-52-0

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

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>  <Mol_ID> (174)
2844

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C23H26N4O2

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S7611

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EI1

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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
csChFnd80/05071909432D

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>  <Mol_ID> (175)
2846

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (176)
2847

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (177)
2850

>  <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
csChFnd80/05071909432D

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1418033-25-6

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1395084-25-9

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http://www.selleckchem.com/products/ms436.html

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1429651-50-2

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1222800-79-4

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HDAC

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910462-43-0

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

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>  <Mol_ID> (184)
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C17H18BrN3O4S

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OF-1

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N/A

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Epigenetic Reader Domain

>  <Form> (184)
Free Base

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

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

$$$$
UNC0379.cdx
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>  <Mol_ID> (185)
2893

>  <Formula> (185)
C23H35N5O2

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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
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2895

>  <Formula> (186)
C14H22Cl2N2

>  <MolWeight> (186)
289.24388

>  <Cat> (186)
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>  <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
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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

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http://www.selleckchem.com/products/epz015666.html

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Sirtuin

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M  END
>  <Mol_ID> (196)
2957

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (197)
2961

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (198)
2963

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (199)
2975

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (200)
2977

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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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csChFnd80/05071909432D

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>  <Mol_ID> (201)
2992

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (202)
2994

>  <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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M  END
>  <Mol_ID> (208)
3038

>  <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
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M  END
>  <Mol_ID> (209)
3043

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (210)
3051

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (211)
3062

>  <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

$$$$
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>  <Mol_ID> (212)
3070

>  <Formula> (212)
C27H34N4O5

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S7238

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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
csChFnd80/05071909432D

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>  <Mol_ID> (213)
3073

>  <Formula> (213)
C12H9ClN2O4

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FG-2216

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N/A

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HIF

>  <Form> (213)
Free Base

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

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

$$$$
SGC707.cdx
csChFnd80/05071909432D

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>  <Mol_ID> (214)
3079

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (215)
3085

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (216)
3089

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (217)
3094

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (218)
3095

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (219)
3097

>  <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
csChFnd80/05071909432D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (220)
3114

>  <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
csChFnd80/05071909432D

 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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 25 18  2  0  0  0  0
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 29 30  2  0  0  0  0
 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)
3118

>  <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
csChFnd80/05071909432D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (222)
3121

>  <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
csChFnd80/05071909432D

 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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M  END
>  <Mol_ID> (223)
3126

>  <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
csChFnd80/05071909432D

 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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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (224)
3127

>  <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
csChFnd80/05071909432D

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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

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Free Base

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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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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)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

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ITSA-1 (ITSA1)

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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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C28H29ClN4O3

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LY333531 HCl

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Ruboxistaurin

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PKC

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hydrochloride

>  <CAS> (231)
169939-93-9

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

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1883429-22-8

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LLY-507

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N/A

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Histone Methyltransferase

>  <Form> (234)
Free Base

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1793053-37-8

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

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csChFnd80/05071909432D

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GPR

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Free Base

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130209-82-4

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

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CPI-637.cdx
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CPI-637

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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)
3271

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (238)
3275

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (239)
3285

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (240)
3288

>  <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
csChFnd80/05071909432D

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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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MS049

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N/A

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Histone Methyltransferase

>  <Form> (242)
dihydrochloride

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

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

$$$$
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C27H24N4O2S

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SRT2183

>  <Synonyms> (243)
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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>  <Target> (244)
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)
3322

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (246)
3338

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (247)
3339

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (248)
3351

>  <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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csChFnd80/05071909432D

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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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csChFnd80/05071909432D

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3362

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C22H19F2N3O4S

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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
csChFnd80/05071909432D

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3363

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C24H26ClN5O3

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HDAC

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1316215-12-9

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

$$$$
E7449.cdx
csChFnd80/05071909432D

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1140964-99-3

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

$$$$
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csChFnd80/05071909432D

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C31H32ClN5O2S2

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S8481

>  <Name> (257)
SRT3025 HCl

>  <Synonyms> (257)
N/A

>  <Target> (257)
Sirtuin activator

>  <Form> (257)
hydrochloride

>  <CAS> (257)
2070015-26-6

>  <URL> (257)
http://www.selleckchem.com/products/srt3025.html

$$$$
EED226.cdx
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (258)
3385

>  <Formula> (258)
C17H15N5O3S

>  <MolWeight> (258)
369.3977

>  <Cat> (258)
S8496

>  <Name> (258)
EED226

>  <Synonyms> (258)
N/A

>  <Target> (258)
Epigenetic Reader Domain

>  <Form> (258)
Free Base

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

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

$$$$
BIX01294 3HCl.cdx
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (259)
3387

>  <Formula> (259)
C28H41Cl3N6O2

>  <MolWeight> (259)
600.02314

>  <Cat> (259)
S8006

>  <Name> (259)
BIX 01294

>  <Synonyms> (259)
N/A

>  <Target> (259)
Histone Methyltransferase

>  <Form> (259)
trihydrochloride

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

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

$$$$
A-196.cdx
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (260)
3404

>  <Formula> (260)
C18H16Cl2N4

>  <MolWeight> (260)
359.25244

>  <Cat> (260)
S7983

>  <Name> (260)
S7983
S7983
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
csChFnd80/05071909432D

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>  <Mol_ID> (261)
3406

>  <Formula> (261)
C19H24N2O2

>  <MolWeight> (261)
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>  <Cat> (261)
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>  <Name> (261)
SGC2085

>  <Synonyms> (261)
N/A

>  <Target> (261)
CARM1

>  <Form> (261)
free base

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

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

$$$$
TMP195.cdx
csChFnd80/05071909432D

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1314891-22-9

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1174428-47-7

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934593-90-5

>  <URL> (264)
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csChFnd80/05071909432D

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M  END
>  <Mol_ID> (267)
3454

>  <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
csChFnd80/05071909432D

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free base

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1467057-23-3

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N/A

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1375465-91-0

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3495

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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
csChFnd80/05071909432D

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M  END
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3513

>  <Formula> (273)
C8H16O2

>  <MolWeight> (273)
144.21144

>  <Cat> (273)
S3944

>  <Name> (273)
Valproic acid

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

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HDAC1

>  <Form> (273)
free base

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

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

$$$$
WT161.cdx
csChFnd80/05071909432D

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>  <Mol_ID> (274)
3544

>  <Formula> (274)
C27H30N4O3

>  <MolWeight> (274)
458.5521

>  <Cat> (274)
S8495

>  <Name> (274)
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
csChFnd80/05071909432D

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3546

>  <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

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free base

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887686-02-4

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

$$$$
LLY-283.cdx
csChFnd80/05071909432D

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C17H18N4O4

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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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PF-06651600.cdx
csChFnd80/05071909432D

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free base

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1792180-81-4

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http://www.selleckchem.com/products/pf-06651600.html

$$$$
UNC0642.cdx
csChFnd80/05071909432D

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N/A

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G9a,GLP

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free base

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1481677-78-4

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

$$$$
JQ-EZ-05 (JQEZ5).cdx
csChFnd80/05071909432D

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JQ-EZ-05 (JQEZ5)

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N/A

>  <Target> (279)
EZH1,EZH2

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free base

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1913252-04-6

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

$$$$
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csChFnd80/05071909432D

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>  <Name> (280)
Itacitinib (INCB39110)

>  <Synonyms> (280)
N/A

>  <Target> (280)
JAK

>  <Form> (280)
free base

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

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

$$$$
SNS-314.cdx
csChFnd80/05071909432D

 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)
3686

>  <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
csChFnd80/05071909432D

 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)
3761

>  <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
csChFnd80/05071909432D

 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)
3777

>  <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
csChFnd80/05071909432D

 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)
3935

>  <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
csChFnd80/05071909432D

 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
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M  END
>  <Mol_ID> (285)
3940

>  <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
csChFnd80/05071909432D

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>  <Mol_ID> (286)
4040

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (287)
4144

>  <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
csChFnd80/05071909432D

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M  END
>  <Mol_ID> (288)
4160

>  <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
csChFnd80/05071909432D

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 42 43  1  0  0  0  0
  5  4  1  0  0  0  0
 28 44  1  1  0  0  0
 17 22  1  0  0  0  0
 27 45  1  1  0  0  0
 18 19  1  0  0  0  0
 18 46  1  1  0  0  0
 19 20  1  0  0  0  0
 13 47  1  1  0  0  0
 20 21  1  0  0  0  0
 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)
4441

>  <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
csChFnd80/05071909432D

 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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    8.3904    6.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8190    7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7557    6.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6966    7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2640    8.4940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8946    8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    9.5308    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
  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)
4682

>  <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

$$$$

csChFnd80/05071909432D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    2.5652    8.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5166    8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0939    3.4287    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    4.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4914    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    2.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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)
4786

>  <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

$$$$

csChFnd80/05071909432D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0999    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
  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
  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
 19 20  2  0  0  0  0
 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)
4803

>  <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

$$$$

csChFnd80/05071909432D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8976    2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  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
  9 10  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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  5 15  1  0  0  0  0
M  END
>  <Mol_ID> (293)
4829

>  <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

$$$$

csChFnd80/05071909432D

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9527    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9527    3.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3855    1.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6442    2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    2.1086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4174    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
  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)
4884

>  <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

$$$$

csChFnd80/05071909432D

 26 29  0  0  0  0  0  0  0  0999 V2000
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4890

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14513-15-6

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csChFnd80/05071909432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <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

$$$$

csChFnd80/05071909432D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (297)
C22H26N4O3

>  <MolWeight> (297)
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>  <Cat> (297)
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>  <Synonyms> (297)
N/A

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Epigenetic Reader Do

>  <Form> (297)
Free Base

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

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

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csChFnd80/05071909432D

 30 34  0  0  0  0  0  0  0  0999 V2000
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4895

>  <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

$$$$

csChFnd80/05071909432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (299)
4915

>  <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

$$$$

csChFnd80/05071909432D

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M  END
>  <Mol_ID> (300)
4916

>  <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

$$$$

csChFnd80/05071909432D

 22 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (301)
4920

>  <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

$$$$

csChFnd80/05071909432D

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>  <Mol_ID> (302)
4923

>  <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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csChFnd80/05071909432D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (304)
4928

>  <Formula> (304)
C20H21N3O5S

>  <MolWeight> (304)
415.46284

>  <Cat> (304)
S8714

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>  <Synonyms> (304)
N/A

>  <Target> (304)
Epigenetic Reader Do

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Free Base

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

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

$$$$

csChFnd80/05071909432D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (305)
4929

>  <Formula> (305)
C28H30FN3O4

>  <MolWeight> (305)
491.5539032

>  <Cat> (305)
S8723

>  <Name> (305)
ABBV-744

>  <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

$$$$

csChFnd80/05071909432D

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M  END
>  <Mol_ID> (306)
4930

>  <Formula> (306)
C18H18FN5O2S

>  <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

$$$$

csChFnd80/05071909432D

 26 30  0  0  0  0  0  0  0  0999 V2000
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4937

>  <Formula> (307)
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>  <Cat> (307)
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>  <Synonyms> (307)
N/A

>  <Target> (307)
Rho

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

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

$$$$

csChFnd80/05071909432D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (308)
4945

>  <Formula> (308)
C16H16N4O2

>  <MolWeight> (308)
296.32384

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N/A

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Epigenetic Reader Do

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Free Base

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2229039-45-4

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

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csChFnd80/05071909432D

 27 31  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
  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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 17 11  1  0  0  0  0
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 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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>  <Mol_ID> (309)
4948

>  <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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csChFnd80/05071909432D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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>  <Mol_ID> (310)
4950

>  <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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csChFnd80/05071909432D

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4952

>  <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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http://www.selleckchem.com/products/mk-3903.html

$$$$

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>  <Name> (313)
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>  <Target> (313)
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>  <Form> (313)
free base

>  <CAS> (313)
1799711-21-9

>  <URL> (313)
http://www.selleck.cn/products/bet1.html

$$$$

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>  <Synonyms> (314)
N/A

>  <Target> (314)
Epigenetic Reader Do

>  <Form> (314)
free base

>  <CAS> (314)
1950634-92-0

>  <URL> (314)
http://www.selleck.cn/products/dbet6.html

$$$$

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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  6  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 12  1  0  0  0  0
 14 16  1  6  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
 17 21  2  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (315)
5292

>  <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

$$$$

csChFnd80/05071909432D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    2.0915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.1930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (316)
5300

>  <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

$$$$
