ABT-888(Veliparib).cdx
csChFnd80/05071909472D

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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
csChFnd80/05071909472D

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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
csChFnd80/05071909472D

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>  <Mol_ID> (3)
25

>  <Formula> (3)
C18H20N2O3

>  <MolWeight> (3)
312.363

>  <Cat> (3)
S2244

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

>  <Synonyms> (3)
OSU-HDAC42

>  <Target> (3)
HDAC 

>  <Form> (3)
Free Base

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

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

$$$$
vorinostat.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (4)
31

>  <Formula> (4)
C14H20N2O3

>  <MolWeight> (4)
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>  <Cat> (4)
S1047

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

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

>  <Target> (4)
HDAC

>  <Form> (4)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/05071909472D

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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
csChFnd80/05071909472D

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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

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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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csChFnd80/05071909472D

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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)
C15H14N2O4S

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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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HDAC 

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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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SRT1720 HCl

>  <Synonyms> (18)
N/A

>  <Target> (18)
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 

>  <Form> (19)
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

>  <MolWeight> (20)
518.9235032

>  <Cat> (20)
S1133

>  <Name> (20)
MLN8237 (Alisertib)

>  <Synonyms> (20)
Alisertib

>  <Target> (20)
Aurora Kinase

>  <Form> (20)
Free Base

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

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

$$$$
AT9283.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (21)
81

>  <Formula> (21)
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N/A

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Bcr-Abl, JAK, Aurora Kinase

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

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

$$$$
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M  END
>  <Mol_ID> (22)
90

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C26H30FN7O3

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S1147

>  <Name> (22)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (22)
AZD1152 

>  <Target> (22)
Aurora Kinase

>  <Form> (22)
Free Base

>  <CAS> (22)
722544-51-6

>  <URL> (22)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
cyc116.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (23)
101

>  <Formula> (23)
C18H20N6OS

>  <MolWeight> (23)
368.456

>  <Cat> (23)
S1171

>  <Name> (23)
CYC116

>  <Synonyms> (23)
N/A

>  <Target> (23)
Aurora Kinase, VEGFR

>  <Form> (23)
Free Base

>  <CAS> (23)
693228-63-6

>  <URL> (23)
http://www.selleckchem.com/products/CYC116.html

$$$$
ENMD-2076.cdx
csChFnd80/05071909472D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (24)
110

>  <Formula> (24)
C21H25N7

>  <MolWeight> (24)
375.4701

>  <Cat> (24)
S1181

>  <Name> (24)
ENMD-2076

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Flt, Aurora Kinase, VEGFR

>  <Form> (24)
Tartaric Acid 

>  <CAS> (24)
934353-76-1

>  <URL> (24)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/05071909472D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (25)
120

>  <Formula> (25)
C24H26N4O4

>  <MolWeight> (25)
434.48764

>  <Cat> (25)
S1194

>  <Name> (25)
CUDC-101

>  <Synonyms> (25)
N/A

>  <Target> (25)
HDAC, EGFR, HER2

>  <Form> (25)
Free Base

>  <CAS> (25)
1012054-59-9

>  <URL> (25)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/05071909472D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (26)
123

>  <Formula> (26)
C8H12N4O4

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228.20528

>  <Cat> (26)
S1200

>  <Name> (26)
Decitabine

>  <Synonyms> (26)
Dacogen

>  <Target> (26)
DNA/RNA Synthesis

>  <Form> (26)
Free Base

>  <CAS> (26)
2353-33-5

>  <URL> (26)
http://www.selleckchem.com/products/Decitabine.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/05071909472D

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 10  5  1  0  0  0  0
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 17 24  1  1  0  0  0
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M  END
>  <Mol_ID> (27)
140

>  <Formula> (27)
C19H26O3

>  <MolWeight> (27)
302.40794

>  <Cat> (27)
S1233

>  <Name> (27)
2-Methoxyestradiol

>  <Synonyms> (27)
2-ME2

>  <Target> (27)
HIF

>  <Form> (27)
Free Base

>  <CAS> (27)
362-07-2

>  <URL> (27)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
JNJ-7706621.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (28)
146

>  <Formula> (28)
C15H12F2N6O3S

>  <MolWeight> (28)
394.3559864

>  <Cat> (28)
S1249

>  <Name> (28)
JNJ-7706621

>  <Synonyms> (28)
N/A 

>  <Target> (28)
CDK, Aurora Kinase

>  <Form> (28)
Free Base

>  <CAS> (28)
443797-96-4

>  <URL> (28)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
Nicotinamide.cdx
csChFnd80/05071909472D

  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> (29)
188

>  <Formula> (29)
C6H6N2O

>  <MolWeight> (29)
122.12464

>  <Cat> (29)
S1899

>  <Name> (29)
Nicotinamide (Vitamin B3)

>  <Synonyms> (29)
Niacinamide

>  <Target> (29)
Sirtuin

>  <Form> (29)
Free Base

>  <CAS> (29)
98-92-0

>  <URL> (29)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

$$$$
resveratrol.cdx
csChFnd80/05071909472D

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   10.0762    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0627    4.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (30)
251

>  <Formula> (30)
C14H12O3

>  <MolWeight> (30)
228.24328

>  <Cat> (30)
S1396

>  <Name> (30)
Resveratrol

>  <Synonyms> (30)
N/A

>  <Target> (30)
Sirtuin

>  <Form> (30)
Free Base

>  <CAS> (30)
501-36-0

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

$$$$
Droxinostat.cdx
csChFnd80/05071909472D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (31)
264

>  <Formula> (31)
C11H14ClNO3

>  <MolWeight> (31)
243.68676

>  <Cat> (31)
S1422

>  <Name> (31)
Droxinostat

>  <Synonyms> (31)
N/A

>  <Target> (31)
HDAC 

>  <Form> (31)
Free Base

>  <CAS> (31)
99873-43-5

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (32)
279

>  <Formula> (32)
C31H31ClFN7O2

>  <MolWeight> (32)
588.0749432

>  <Cat> (32)
S1451

>  <Name> (32)
Aurora A Inhibitor I

>  <Synonyms> (32)
N/A

>  <Target> (32)
Aurora Kinase

>  <Form> (32)
Free Base

>  <CAS> (32)
1158838-45-9

>  <URL> (32)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/05071909472D

 37 41  0  0  0  0  0  0  0  0999 V2000
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852475-26-4

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M  END
>  <Mol_ID> (37)
323

>  <Formula> (37)
C18H17FN4O

>  <MolWeight> (37)
324.3521832

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S2197

>  <Name> (37)
A-966492

>  <Synonyms> (37)
N/A

>  <Target> (37)
PARP

>  <Form> (37)
Free Base

>  <CAS> (37)
934162-61-5

>  <URL> (37)
http://www.selleckchem.com/products/A-966492.html

$$$$
Hesperadin .cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (38)
324

>  <Formula> (38)
C29H32N4O3S

>  <MolWeight> (38)
516.65438

>  <Cat> (38)
S1529

>  <Name> (38)
Hesperadin

>  <Synonyms> (38)
N/A

>  <Target> (38)
Aurora Kinase

>  <Form> (38)
Free Base

>  <CAS> (38)
422513-13-1

>  <URL> (38)
http://www.selleckchem.com/products/Hesperadin.html

$$$$
EX527.cdx
csChFnd80/05071909472D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
340

>  <Formula> (39)
C13H13ClN2O

>  <MolWeight> (39)
248.70812

>  <Cat> (39)
S1541

>  <Name> (39)
EX 527

>  <Synonyms> (39)
SEN0014196

>  <Target> (39)
Sirtuin

>  <Form> (39)
Free Base

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

>  <URL> (39)
http://www.selleckchem.com/products/EX-527.html

$$$$

csChFnd80/05071909472D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
360

>  <Formula> (40)
C27H30Cl2F2N6O

>  <MolWeight> (40)
563.4695064

>  <Cat> (40)
S2686 

>  <Name> (40)
NVP-BSK805 2HCl

>  <Synonyms> (40)
N/A

>  <Target> (40)
JAK

>  <Form> (40)
HCl

>  <CAS> (40)
1092499-93-8 (free base)

>  <URL> (40)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/05071909472D

 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
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M  END
>  <Mol_ID> (41)
422

>  <Formula> (41)
C16H31NaO4

>  <MolWeight> (41)
310.40471

>  <Cat> (41)
S1703

>  <Name> (41)
Divalproex sodium

>  <Synonyms> (41)
Depakote, Epival

>  <Target> (41)
HDAC

>  <Form> (41)
Sodium Salt

>  <CAS> (41)
76584-70-8

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

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/05071909472D

 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
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  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> (42)
455

>  <Formula> (42)
C5H5N5S

>  <MolWeight> (42)
167.1917

>  <Cat> (42)
S1774

>  <Name> (42)
Thioguanine

>  <Synonyms> (42)
6-Thioguanine

>  <Target> (42)
Others

>  <Form> (42)
Free Base

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

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/05071909472D

 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
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    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
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    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  1  0  0  0
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  2  8  1  6  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (43)
459

>  <Formula> (43)
C8H12N4O5

>  <MolWeight> (43)
244.20468

>  <Cat> (43)
S1782

>  <Name> (43)
Azacitidine (Vidaza)

>  <Synonyms> (43)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (43)
DNA/RNA Synthesis

>  <Form> (43)
Free Base

>  <CAS> (43)
320-67-2

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/05071909472D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (44)
486

>  <Formula> (44)
C4H12ClN5

>  <MolWeight> (44)
165.62458

>  <Cat> (44)
S1950

>  <Name> (44)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (44)
Glucophage, Riomet, Diabex

>  <Target> (44)
Others

>  <Form> (44)
Hydrochloride

>  <CAS> (44)
1115-70-4

>  <URL> (44)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Quercetin.cdx
csChFnd80/05071909472D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    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
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (45)
532

>  <Formula> (45)
C15H10O7

>  <MolWeight> (45)
302.2357

>  <Cat> (45)
S2391

>  <Name> (45)
Quercetin (Sophoretin)

>  <Synonyms> (45)
Meletin, Quercetine

>  <Target> (45)
PI3K, PKC, Src, Sirtuin

>  <Form> (45)
Free Base

>  <CAS> (45)
117-39-5

>  <URL> (45)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
KW2449.cdx
csChFnd80/05071909472D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5035    5.5380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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
    7.5607    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9301    3.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8669    4.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  6  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (46)
562

>  <Formula> (46)
C20H20N4O

>  <MolWeight> (46)
332.399

>  <Cat> (46)
S2158

>  <Name> (46)
KW 2449

>  <Synonyms> (46)
N/A

>  <Target> (46)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (46)
Free Base

>  <CAS> (46)
1000669-72-6

>  <URL> (46)
http://www.selleckchem.com/products/KW-2449.html

$$$$

csChFnd80/05071909472D

 33 33  0  0  0  0  0  0  0  0999 V2000
    7.6412   -4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8537   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0661   -4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0661   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2785   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4910   -4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2785   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (47)
565

>  <Formula> (47)
C24H30ClN3O5

>  <MolWeight> (47)
475.9651

>  <Cat> (47)
S2170

>  <Name> (47)
ITF2357 (Givinostat)

>  <Synonyms> (47)
N/A 

>  <Target> (47)
HDAC 

>  <Form> (47)
Chloride

>  <CAS> (47)
732302-99-7

>  <URL> (47)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

$$$$
Daphnetin.cdx
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JAK 

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>  <URL> (50)
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  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
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 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (52)
597

>  <Formula> (52)
C22H18O11

>  <MolWeight> (52)
458.37172

>  <Cat> (52)
S2250

>  <Name> (52)
(-)-Epigallocatechin gallate

>  <Synonyms> (52)
EGCG

>  <Target> (52)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (52)
Free Base

>  <CAS> (52)
989-51-5

>  <URL> (52)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Fisetin.cdx
csChFnd80/05071909472D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6331    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
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    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
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  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (53)
630

>  <Formula> (53)
C15H10O6

>  <MolWeight> (53)
286.2363

>  <Cat> (53)
S2298

>  <Name> (53)
Fisetin (Fustel)

>  <Synonyms> (53)
Fustel, Viset

>  <Target> (53)
Sirtuin

>  <Form> (53)
Free Base

>  <CAS> (53)
528-48-3

>  <URL> (53)
http://www.selleckchem.com/products/Fisetin(Fustel).html

$$$$
Myricitrin.cdx
csChFnd80/05071909472D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (54)
653

>  <Formula> (54)
C21H20O12

>  <MolWeight> (54)
464.3763

>  <Cat> (54)
S2327

>  <Name> (54)
Myricitrin (Myricitrine)

>  <Synonyms> (54)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (54)
PKC

>  <Form> (54)
Free Base

>  <CAS> (54)
17912-87-7

>  <URL> (54)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Parthenolide.cdx
csChFnd80/05071909472D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    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
  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  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (55)
664

>  <Formula> (55)
C15H20O3

>  <MolWeight> (55)
248.3175

>  <Cat> (55)
S2341

>  <Name> (55)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (55)
N/A 

>  <Target> (55)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (55)
Free Base

>  <CAS> (55)
20554-84-1

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

$$$$
Curcumol.cdx
csChFnd80/05071909472D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    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
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  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
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  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (56)
679

>  <Formula> (56)
C15H24O2

>  <MolWeight> (56)
236.34986

>  <Cat> (56)
S2407

>  <Name> (56)
Curcumol

>  <Synonyms> (56)
N/A

>  <Target> (56)
JAK

>  <Form> (56)
Free Base

>  <CAS> (56)
4871-97-0

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

$$$$
TAK-901.cdx
csChFnd80/05071909472D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  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
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0141    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0141    4.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Aurora Kinase

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Free Base

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934541-31-8

>  <URL> (57)
http://www.selleckchem.com/products/tak-901.html

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N/A

>  <Target> (58)
Flt, JAK, c-RET

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Free Base

>  <CAS> (58)
936091-14-4

>  <URL> (58)
http://www.selleckchem.com/products/tg101209.html

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AMG900.cdx
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706

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>  <Synonyms> (59)
N/A

>  <Target> (59)
Aurora Kinase

>  <Form> (59)
Free Base

>  <CAS> (59)
945595-80-2

>  <URL> (59)
http://www.selleckchem.com/products/amg-900.html

$$$$

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709

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C22H30Cl2N4O6

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>  <Name> (60)
Mitoxantrone 2HCl

>  <Synonyms> (60)
NSC-301739

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Topoisomerase

>  <Form> (60)
Dihydrochloride

>  <CAS> (60)
70476-82-3

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

$$$$
Phenformin hydrochloride.cdx
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759

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C10H16ClN5

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>  <Cat> (61)
S2542

>  <Name> (61)
Phenformin hydrochloride 

>  <Synonyms> (61)
N/A

>  <Target> (61)
AMPK

>  <Form> (61)
Hydrochloride 

>  <CAS> (61)
834-28-6

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

$$$$
Curcumin.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (62)
815

>  <Formula> (62)
C21H20O6

>  <MolWeight> (62)
368.3799

>  <Cat> (62)
S1848

>  <Name> (62)
Curcumin

>  <Synonyms> (62)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (62)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (62)
Free Base

>  <CAS> (62)
458-37-7

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

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>  <Mol_ID> (63)
838

>  <Formula> (63)
C30H33N7O

>  <MolWeight> (63)
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>  <Cat> (63)
S2740 

>  <Name> (63)
GSK1070916

>  <Synonyms> (63)
N/A 

>  <Target> (63)
Aurora Kinase

>  <Form> (63)
Free Base

>  <CAS> (63)
942918-07-2

>  <URL> (63)
http://www.selleckchem.com/products/gsk1070916.html

$$$$
TG101348.cdx
csChFnd80/05071909472D

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>  <Synonyms> (64)
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>  <Target> (64)
JAK 

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Free Base

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936091-26-8

>  <URL> (64)
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>  <Mol_ID> (65)
859

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C22H21ClFN3O3S

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MK-5108 (VX-689)

>  <Synonyms> (65)
N/A 

>  <Target> (65)
Aurora Kinase

>  <Form> (65)
Free Base

>  <CAS> (65)
1010085-13-8

>  <URL> (65)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (66)
866

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C20H22ClN3O2

>  <MolWeight> (66)
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>  <Cat> (66)
S2627 

>  <Name> (66)
Tubastatin A hydrochloride

>  <Synonyms> (66)
N/A

>  <Target> (66)
HDAC

>  <Form> (66)
Hydrochloride

>  <CAS> (66)
1310693-92-5

>  <URL> (66)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
PCI-34051.cdx
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>  <Mol_ID> (67)
963

>  <Formula> (67)
C17H16N2O3

>  <MolWeight> (67)
296.32054

>  <Cat> (67)
S2012 

>  <Name> (67)
PCI-34051

>  <Synonyms> (67)
N/A

>  <Target> (67)
HDAC 

>  <Form> (67)
Free Base

>  <CAS> (67)
950762-95-5

>  <URL> (67)
http://www.selleckchem.com/products/pci-34051.html

$$$$
RG108.cdx
csChFnd80/05071909472D

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C19H14N2O4

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RG108

>  <Synonyms> (68)
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>  <Target> (68)
Transferases

>  <Form> (68)
Free Base

>  <CAS> (68)
48208-26-0

>  <URL> (68)
http://www.selleckchem.com/products/rg108.html

$$$$
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1339928-25-4

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251456-60-7 

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http://www.selleckchem.com/products/m344.html

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PKC 

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Free Base

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425637-18-9

>  <URL> (71)
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410536-97-9

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

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112522-64-2

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>  <CAS> (75)
211555-04-3

>  <URL> (75)
http://www.selleckchem.com/products/whi-p154.html

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C26H26N4O3

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Go 6983

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N/A

>  <Target> (76)
PKC

>  <Form> (76)
Free Base

>  <CAS> (76)
133053-19-7

>  <URL> (76)
http://www.selleckchem.com/products/go-6983.html

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HIF

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931398-72-0

>  <URL> (77)
http://www.selleckchem.com/products/iox2.html

$$$$
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AMPK

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2627-69-2

>  <URL> (78)
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M  END
>  <Mol_ID> (79)
1265

>  <Formula> (79)
C16H17N3O4S

>  <MolWeight> (79)
347.38888

>  <Cat> (79)
S1216

>  <Name> (79)
PFI-1(PF-6405761) 

>  <Synonyms> (79)
PF-06405761

>  <Target> (79)
Epigenetic Reader Domain

>  <Form> (79)
Free Base

>  <CAS> (79)
1403764-72-6

>  <URL> (79)
http://www.selleckchem.com/products/pfl-1.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/05071909472D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  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> (80)
1334

>  <Formula> (80)
C10H11NaO2

>  <MolWeight> (80)
186.18291

>  <Cat> (80)
S4125

>  <Name> (80)
Sodium Phenylbutyrate

>  <Synonyms> (80)
N/A

>  <Target> (80)
HDAC

>  <Form> (80)
Sodium Salt

>  <CAS> (80)
1716-12-7

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

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/05071909472D

 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
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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
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 20 21  1  0  0  0  0
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 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (81)
1380

>  <Formula> (81)
C16H19N3O4S

>  <MolWeight> (81)
349.40476

>  <Cat> (81)
S2693

>  <Name> (81)
Resminostat (RAS2410)

>  <Synonyms> (81)
4SC-201, BYK408740

>  <Target> (81)
HDAC

>  <Form> (81)
Free Base

>  <CAS> (81)
864814-88-0

>  <URL> (81)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
S4246.cdx
csChFnd80/05071909472D

 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> (82)
1451

>  <Formula> (82)
C9H12ClNR

>  <MolWeight> (82)
169.65128

>  <Cat> (82)
S4246

>  <Name> (82)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (82)
N/A

>  <Target> (82)
MAO

>  <Form> (82)
Hydrochloride

>  <CAS> (82)
4548-34-9

>  <URL> (82)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Tenovin-6 HCl.cdx
csChFnd80/05071909472D

 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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 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 20 25  2  0  0  0  0
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 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> (83)
1500

>  <Formula> (83)
C25H35ClN4O2S

>  <MolWeight> (83)
491.089

>  <Cat> (83)
S4900

>  <Name> (83)
Tenovin-6

>  <Synonyms> (83)
N/A

>  <Target> (83)
p53,Sirtuin

>  <Form> (83)
Free Base

>  <CAS> (83)
1011557-82-6

>  <URL> (83)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/05071909472D

 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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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    4.9980    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (84)
1522

>  <Formula> (84)
C13H22ClN3O

>  <MolWeight> (84)
271.78628

>  <Cat> (84)
S4294

>  <Name> (84)
Procainamide HCl

>  <Synonyms> (84)
N/A

>  <Target> (84)
Sodium Channel

>  <Form> (84)
Hydrochloride

>  <CAS> (84)
614-39-1

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (85)
1543

>  <Formula> (85)
C25H31N7O6

>  <MolWeight> (85)
525.55694

>  <Cat> (85)
S2018

>  <Name> (85)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (85)
N/A

>  <Target> (85)
FLT3

>  <Form> (85)
Free Base

>  <CAS> (85)
1291074-87-7

>  <URL> (85)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (86)
1559

>  <Formula> (86)
C21H28Cl2N6O2

>  <MolWeight> (86)
467.39202

>  <Cat> (86)
S1096

>  <Name> (86)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (86)
N/A

>  <Target> (86)
HDAC

>  <Form> (86)
Dihydrochloride

>  <CAS> (86)
875320-31-3

>  <URL> (86)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$

csChFnd80/05071909472D

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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (87)
1631

>  <Formula> (87)
C20H28Cl3N3O3

>  <MolWeight> (87)
464.81362

>  <Cat> (87)
S4589

>  <Name> (87)
Amodiaquin (dihydrochloride dihydrate)

>  <Synonyms> (87)
N/A

>  <Target> (87)
Transferase,Histone

>  <Form> (87)
dihydrochloride dihydrate

>  <CAS> (87)
6398-98-7

>  <URL> (87)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

$$$$
S4715 Benzamide.cdx
csChFnd80/05071909472D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (88)
1707

>  <Formula> (88)
C7H7NO

>  <MolWeight> (88)
121.13658

>  <Cat> (88)
S4715

>  <Name> (88)
Benzamide

>  <Synonyms> (88)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (88)
Others

>  <Form> (88)
Free Base

>  <CAS> (88)
55-21-0

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/05071909472D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (89)
1716

>  <Formula> (89)
C6H6N2O

>  <MolWeight> (89)
122.12464

>  <Cat> (89)
S4710

>  <Name> (89)
Picolinamide

>  <Synonyms> (89)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (89)
PARP

>  <Form> (89)
Free Base

>  <CAS> (89)
1452-77-3

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

$$$$
MK4827.cdx
csChFnd80/05071909472D

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    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
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 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
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (90)
1721

>  <Formula> (90)
C19H20N4O

>  <MolWeight> (90)
320.3883

>  <Cat> (90)
S2741

>  <Name> (90)
MK-4827(Niraparib)

>  <Synonyms> (90)
N/A

>  <Target> (90)
PARP

>  <Form> (90)
Free Base

>  <CAS> (90)
1038915-60-4

>  <URL> (90)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/05071909472D

 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
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    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
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   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
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   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
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 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> (91)
1723

>  <Formula> (91)
C36H30O16

>  <MolWeight> (91)
718.6138

>  <Cat> (91)
S4735

>  <Name> (91)
Salvianolic acid B

>  <Synonyms> (91)
Lithospermate B

>  <Target> (91)
Others

>  <Form> (91)
Free Base

>  <CAS> (91)
121521-90-2

>  <URL> (91)
http://www.selleckchem.com/products/salvianolic-acid-b.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/05071909472D

 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> (92)
1789

>  <Formula> (92)
C11H8O3

>  <MolWeight> (92)
188.17942

>  <Cat> (92)
S3661

>  <Name> (92)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (92)
N/A

>  <Target> (92)
PKC

>  <Form> (92)
free base

>  <CAS> (92)
2348-82-5

>  <URL> (92)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/05071909472D

 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
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   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3 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> (93)
1895

>  <Formula> (93)
C19H20O5

>  <MolWeight> (93)
328.3591

>  <Cat> (93)
S3819

>  <Name> (93)
Decursinol angelate

>  <Synonyms> (93)
N/A

>  <Target> (93)
PKC

>  <Form> (93)
free base

>  <CAS> (93)
130848-06-5

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

$$$$
S4800 Daminozide.cdx
csChFnd80/05071909472D

 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> (94)
2052

>  <Formula> (94)
C6H12N2O3

>  <MolWeight> (94)
160.17108

>  <Cat> (94)
S4800

>  <Name> (94)
Daminozide

>  <Synonyms> (94)
Aminozide, Succinic Acid

>  <Target> (94)
PHF8,KDM2A 

>  <Form> (94)
free base

>  <CAS> (94)
1596-84-5

>  <URL> (94)
http://www.selleckchem.com/products/daminozide.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/05071909472D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (95)
2170

>  <Formula> (95)
C32H40O8

>  <MolWeight> (95)
552.6552

>  <Cat> (95)
S3832

>  <Name> (95)
Euphorbiasteroid

>  <Synonyms> (95)
Euphorbia factor L1

>  <Target> (95)
Others

>  <Form> (95)
free base

>  <CAS> (95)
28649-59-4

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

$$$$
Sodium valproate.cdx
csChFnd80/05071909472D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (96)
2222

>  <Formula> (96)
C8H15NaO2

>  <MolWeight> (96)
166.19327

>  <Cat> (96)
S1168

>  <Name> (96)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (96)
N/A 

>  <Target> (96)
GABA Receptor, HDAC

>  <CAS> (96)
1069-66-5, 99-66-1 (FREE BASE)

>  <URL> (96)
http://www.selleckchem.com/products/Sodium-valproate.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/05071909472D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
2239

>  <Formula> (97)
C19H19ClN6O4S3

>  <MolWeight> (97)
527.03996

>  <Cat> (97)
S1154

>  <Name> (97)
SNS-314 Mesylate

>  <Synonyms> (97)
N/A

>  <Target> (97)
Aurora Kinase

>  <Form> (97)
Mesylate

>  <CAS> (97)
1146618-41-8

>  <URL> (97)
http://www.selleckchem.com/products/SNS-314.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/05071909472D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  5  8  2  0  0  0  0
M  END
>  <Mol_ID> (98)
2271

>  <Formula> (98)
C11H6F3NO2S

>  <MolWeight> (98)
273.2310496

>  <Cat> (98)
S8005

>  <Name> (98)
SMI-4a

>  <Synonyms> (98)
N/A

>  <Target> (98)
Pim

>  <Form> (98)
Free Base

>  <CAS> (98)
438190-29-5

>  <URL> (98)
http://www.selleckchem.com/products/smi-4a.html

$$$$
ACY-1215.cdx
csChFnd80/05071909472D

 32 34  0  0  0  0  0  0  0  0999 V2000
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HDAC

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1316214-52-4

>  <URL> (99)
http://www.selleckchem.com/products/rocilinostat-acy-1215.html

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C17H13NO3

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N/A

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PARP

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Free Base

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1048371-03-4

>  <URL> (100)
http://www.selleckchem.com/products/upf-1069.html

$$$$
(+)-JQ1.cdx
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2307

>  <Formula> (101)
C23H25ClN4O2S

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S7110

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(+)-JQ1

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N/A

>  <Target> (101)
BET

>  <Form> (101)
Free Base

>  <CAS> (101)
1268524-70-4

>  <URL> (101)
http://www.selleckchem.com/products/jq1.html

$$$$
GSK J4 HCL.cdx
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>  <Name> (102)
GSK J4 HCl

>  <Synonyms> (102)
N/A

>  <Target> (102)
Histone Demethylase

>  <Form> (102)
Hydrochloride

>  <CAS> (102)
1373423-53-0(free base)

>  <URL> (102)
http://www.selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (103)
2321

>  <Formula> (103)
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Zebularine

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N/A

>  <Target> (103)
DNA Methyltransferase

>  <Form> (103)
Free Base

>  <CAS> (103)
654065

>  <URL> (103)
https://www.selleckchem.com/products/zebularine.html

$$$$
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2325

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C22H22FN3O3

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AZD2461

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PARP

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Free Base

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1174043-16-3

>  <URL> (104)
https://www.selleckchem.com/products/azd2461.html

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CCT129202.cdx
csChFnd80/05071909472D

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2365

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C23H25ClN8OS

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497.0156

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S1519

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CCT129202

>  <Synonyms> (105)
N/A

>  <Target> (105)
Aurora Kinase

>  <Form> (105)
Free Base

>  <CAS> (105)
942947-93-5

>  <URL> (105)
http://www.selleckchem.com/products/CCT129202.html

$$$$
Sodium butyrate.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (106)
2380

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C4H7NaO2

>  <MolWeight> (106)
110.08695

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S1999

>  <Name> (106)
Sodium butyrate

>  <Synonyms> (106)
Butyric acid sodium salt

>  <Target> (106)
HDAC

>  <Form> (106)
Sodium Salt

>  <CAS> (106)
156-54-7

>  <URL> (106)
http://www.selleckchem.com/products/Sodium-butyrate.html

$$$$
CCT137690.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (107)
2428

>  <Formula> (107)
C26H31BrN8O

>  <MolWeight> (107)
551.48134

>  <Cat> (107)
S2744

>  <Name> (107)
CCT137690

>  <Synonyms> (107)
N/A

>  <Target> (107)
Aurora Kinase

>  <Form> (107)
Free Base

>  <CAS> (107)
1095382-05-0

>  <URL> (107)
http://www.selleckchem.com/products/cct137690.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/05071909472D

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2445

>  <Formula> (108)
C18H18N2O4

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>  <Cat> (108)
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>  <Name> (108)
Scriptaid 

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>  <Target> (108)
HDAC

>  <Form> (108)
Free Base

>  <CAS> (108)
287383-59-9

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

$$$$
EPZ004777.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (109)
2453

>  <Formula> (109)
C28H41N7O4

>  <MolWeight> (109)
539.66964

>  <Cat> (109)
S7353

>  <Name> (109)
EPZ004777

>  <Synonyms> (109)
N/A

>  <Target> (109)
Histone Methyltransferase

>  <Form> (109)
Free Base

>  <CAS> (109)
1338466-77-5

>  <URL> (109)
https://www.selleckchem.com/products/epz004777.html

$$$$
Bromosporine.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (110)
2499

>  <Formula> (110)
C17H20N6O4S

>  <MolWeight> (110)
404.4435

>  <Cat> (110)
S7233

>  <Name> (110)
Bromosporine

>  <Synonyms> (110)
N/A

>  <Target> (110)
Epigenetic Reader Domain

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/bromosporine.html

$$$$
EPZ005687.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (111)
2507

>  <Formula> (111)
C32H37N5O3

>  <MolWeight> (111)
539.66788

>  <Cat> (111)
S7004

>  <Name> (111)
EPZ005687

>  <Synonyms> (111)
N/A

>  <Target> (111)
Histone Methyltransferase

>  <Form> (111)
Free Base

>  <CAS> (111)
1396772-26-1

>  <URL> (111)
http://www.selleckchem.com/products/epz005687.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (112)
2520

>  <Formula> (112)
C22H22ClN5O2

>  <MolWeight> (112)
423.89538

>  <Cat> (112)
S7189

>  <Name> (112)
I-BET-762

>  <Synonyms> (112)
GSK525762, GSK525762A

>  <Target> (112)
Epigenetic Reader Domain

>  <Form> (112)
Free Base

>  <CAS> (112)
1260907-17-2

>  <URL> (112)
http://www.selleckchem.com/products/i-bet-762.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/05071909472D

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 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (113)
2521

>  <Formula> (113)
C16H10BrN3O2

>  <MolWeight> (113)
356.1735

>  <Cat> (113)
S7198

>  <Name> (113)
BIO

>  <Synonyms> (113)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (113)
GSK-3

>  <Form> (113)
Free Base

>  <CAS> (113)
667463-62-9

>  <URL> (113)
http://www.selleckchem.com/products/bio.html

$$$$
RGFP966.cdx
csChFnd80/05071909472D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (114)
2526

>  <Formula> (114)
C21H19FN4O

>  <MolWeight> (114)
362.4001632

>  <Cat> (114)
S7229

>  <Name> (114)
RGFP966

>  <Synonyms> (114)
N/A

>  <Target> (114)
HDAC

>  <Form> (114)
Free Base

>  <CAS> (114)
1396841-57-8

>  <URL> (114)
http://www.selleckchem.com/products/rgfp966.html

$$$$
ZM39923 HCl.cdx
csChFnd80/05071909472D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (115)
2530

>  <Formula> (115)
C23H26ClNO

>  <MolWeight> (115)
367.91164

>  <Cat> (115)
S8004

>  <Name> (115)
ZM 39923 HCl

>  <Synonyms> (115)
N/A

>  <Target> (115)
JAK

>  <Form> (115)
HCl

>  <CAS> (115)
1021868-92-7

>  <URL> (115)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
SGC 0946.cdx
csChFnd80/05071909472D

 40 43  0  0  0  0  0  0  0  0999 V2000
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 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (116)
2533

>  <Formula> (116)
C28H40BrN7O4

>  <MolWeight> (116)
618.5657

>  <Cat> (116)
S7079

>  <Name> (116)
SGC 0946

>  <Synonyms> (116)
N/A

>  <Target> (116)
Histone Methyltransferase

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/05071909472D

 38 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (117)
2536

>  <Formula> (117)
C26H27N5O5S2

>  <MolWeight> (117)
553.65308

>  <Cat> (117)
S7207

>  <Name> (117)
Ro 31-8220 Mesylate

>  <Synonyms> (117)
Bisindolylmaleimide IX Mesylate

>  <Target> (117)
PKC

>  <Form> (117)
Mesylate

>  <CAS> (117)
138489-18-6

>  <URL> (117)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
SGI-1027.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (118)
2540

>  <Formula> (118)
C27H23N7O

>  <MolWeight> (118)
461.51782

>  <Cat> (118)
S7276

>  <Name> (118)
SGI-1027

>  <Synonyms> (118)
DNA Methyltransferase Inhibitor II

>  <Target> (118)
DNA Methyltransferase

>  <Form> (118)
Free Base

>  <CAS> (118)
1020149-73-8

>  <URL> (118)
http://www.selleckchem.com/products/sgi-1027.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/05071909472D

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>  <Mol_ID> (119)
2546

>  <Formula> (119)
C24H27Cl2N5O

>  <MolWeight> (119)
472.41008

>  <Cat> (119)
S7306

>  <Name> (119)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (119)
BML-275,Compound C

>  <Target> (119)
AMPK

>  <Form> (119)
Dihydrochloride

>  <CAS> (119)
1219168-18-9

>  <URL> (119)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/05071909472D

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2608

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S7128

>  <Name> (120)
Tazemetostat (EPZ-6438)

>  <Synonyms> (120)
E7438

>  <Target> (120)
Histone Methyltransferase

>  <Form> (120)
Free Base

>  <CAS> (120)
1403254-99-8

>  <URL> (120)
http://www.selleckchem.com/products/epz-6438.html

$$$$
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C20H22N2O5

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S7295

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RVX-208(RVX-000222)

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RVX-000222

>  <Target> (121)
Epigenetic Reader Domain

>  <Form> (121)
Free Base

>  <CAS> (121)
1044870-39-4

>  <URL> (121)
http://www.selleckchem.com/products/rvx-208.html

$$$$
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csChFnd80/05071909472D

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>  <Mol_ID> (122)
2611

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C25H28N6O2

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S7036

>  <Name> (122)
XL019

>  <Synonyms> (122)
N/A

>  <Target> (122)
JAK

>  <Form> (122)
Free Base

>  <CAS> (122)
945755-56-6

>  <URL> (122)
http://www.selleckchem.com/products/xl019.html

$$$$
UNC1999.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (123)
2617

>  <Formula> (123)
C33H43N7O2

>  <MolWeight> (123)
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>  <Cat> (123)
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>  <Name> (123)
UNC1999

>  <Synonyms> (123)
N/A

>  <Target> (123)
Histone Methyltransferase

>  <Form> (123)
Free Base

>  <CAS> (123)
1431612-23-5

>  <URL> (123)
http://www.selleckchem.com/products/unc1999.html

$$$$
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Histone demethylases

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Free Base

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199596-05-9

>  <URL> (124)
http://www.selleckchem.com/products/jib-04.html

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csChFnd80/05071909472D

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MM-102

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HMTase Inhibitor IX

>  <Target> (125)
Histone Methyltransferase

>  <Form> (125)
Free Base

>  <CAS> (125)
1417329-24-8

>  <URL> (125)
http://www.selleckchem.com/products/mm-102.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/05071909472D

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>  <Target> (126)
JAK

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Free Base

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937272-79-2

>  <URL> (126)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
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1215493-56-3

>  <URL> (127)
http://www.selleckchem.com/products/rg2833-rgfp109.html

$$$$
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1214265-58-3

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http://www.selleckchem.com/products/wz4003.html

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SGC-CBP30

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>  <Target> (129)
Epigenetic Reader Domain

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Free Base

>  <URL> (129)
http://www.selleckchem.com/products/sgc-cbp30.html

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1445251-22-8

>  <URL> (131)
http://www.selleckchem.com/products/me0328.html

$$$$
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1314241-44-5

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202590-98-5

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

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1403783-31-2

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http://www.selleckchem.com/products/nexturastat-a.html

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1357302-64-7

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Histone Acetyltransferase

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Free Base

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328968-36-1

>  <URL> (137)
http://www.selleckchem.com/products/c646.html

$$$$
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2700

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UNC1215

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N/A

>  <Target> (138)
Epigenetic Reader Domain

>  <Form> (138)
Free Base

>  <CAS> (138)
1415800-43-9

>  <URL> (138)
http://www.selleckchem.com/products/nuc1215.html

$$$$
IOX1.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (139)
2718

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C10H7NO3

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189.16748

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S7234

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IOX1

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N/A

>  <Target> (139)
Histone demethylases

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Free Base

>  <CAS> (139)
5852-78-8

>  <URL> (139)
http://www.selleckchem.com/products/iox1.html

$$$$
AZD1208.cdx
csChFnd80/05071909472D

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C21H21N3O2S

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AZD1208

>  <Synonyms> (140)
N/A

>  <Target> (140)
Pim

>  <Form> (140)
Free Base

>  <CAS> (140)
1204144-28-4

>  <URL> (140)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/05071909472D

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>  <Mol_ID> (141)
2728

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C26H25Cl2N3O3

>  <MolWeight> (141)
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S7041

>  <Name> (141)
CX-6258 HCl

>  <Synonyms> (141)
N/A

>  <Target> (141)
Pim

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Hydrochloride

>  <CAS> (141)
1353859-00-3

>  <URL> (141)
http://www.selleckchem.com/products/CX-6258.html

$$$$
CPI203 .cdx
csChFnd80/05071909472D

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1314890-29-3

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http://www.selleckchem.com/products/tmp269.html

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Histone Acetyltransferase

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1243583-85-8

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http://www.selleckchem.com/products/mg149.html

$$$$
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csChFnd80/05071909472D

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   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    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
   10.9119    1.4000    0.0000 N   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
    8.4870    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   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
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  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
 10 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (146)
2780

>  <Formula> (146)
C15H22N2O3

>  <MolWeight> (146)
278.34678

>  <Cat> (146)
S7595

>  <Name> (146)
Santacruzamate A (CAY10683)

>  <Synonyms> (146)
N/A

>  <Target> (146)
HDAC

>  <Form> (146)
Free Base

>  <CAS> (146)
1477949-42-0

>  <URL> (146)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
filgotinib.cdx
csChFnd80/05071909472D

 30 34  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
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9792    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (147)
2789

>  <Formula> (147)
C21H23N5O3S

>  <MolWeight> (147)
425.50402

>  <Cat> (147)
S7605

>  <Name> (147)
Filgotinib£¨GLPG0643)

>  <Synonyms> (147)
N/A

>  <Target> (147)
JAK

>  <Form> (147)
Free Base

>  <CAS> (147)
1206161-97-8

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

$$$$
PFI-3.cdx
csChFnd80/05071909472D

 24 27  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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2646    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (148)
2791

>  <Formula> (148)
C19H19N3O2

>  <MolWeight> (148)
321.37306

>  <Cat> (148)
S7315

>  <Name> (148)
PFI-3

>  <Synonyms> (148)
N/A

>  <Target> (148)
Epigenetic Reader Domain

>  <Form> (148)
Free Base

>  <URL> (148)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Tasquinimod .cdx
csChFnd80/05071909472D

 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
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    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> (149)
2796

>  <Formula> (149)
C20H17F3N2O4

>  <MolWeight> (149)
406.3551896

>  <Cat> (149)
S7617

>  <Name> (149)
Tasquinimod

>  <Synonyms> (149)
ABR-215050

>  <Target> (149)
HDAC

>  <Form> (149)
Free Base

>  <CAS> (149)
254964-60-8

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

$$$$
Anacardic Acid.cdx
csChFnd80/05071909472D

 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> (150)
2798

>  <Formula> (150)
C22H36O3

>  <MolWeight> (150)
348.51944

>  <Cat> (150)
S7582

>  <Name> (150)
Anacardic Acid

>  <Synonyms> (150)
6-pentadecylsalicylic Acid

>  <Target> (150)
Histone Acetyltransferase

>  <Form> (150)
Free Base

>  <CAS> (150)
16611-84-0

>  <URL> (150)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
Splitomicin.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (151)
2803

>  <Formula> (151)
C13H10O2

>  <MolWeight> (151)
198.2173

>  <Cat> (151)
S7593

>  <Name> (151)
Splitomicin

>  <Synonyms> (151)
N/A

>  <Target> (151)
Sirtuin

>  <Form> (151)
Free Base

>  <CAS> (151)
1384339

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

$$$$
PFI-2.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (152)
2807

>  <Formula> (152)
C23H25F4N3O3S

>  <MolWeight> (152)
499.5215128

>  <Cat> (152)
S7294

>  <Name> (152)
PFI-2 HCl

>  <Synonyms> (152)
N/A

>  <Target> (152)
Histone Methyltransferase

>  <Form> (152)
Hydrochloride

>  <CAS> (152)
1627676-59-8

>  <URL> (152)
http://www.selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (153)
2808

>  <Formula> (153)
C18H25N5S2

>  <MolWeight> (153)
375.5546

>  <Cat> (153)
S7619

>  <Name> (153)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (153)
N/A

>  <Target> (153)
Histone Methyltransferase

>  <Form> (153)
Free Base

>  <CAS> (153)
1271738-59-0

>  <URL> (153)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
GF 109203X(G 6850).cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (154)
2819

>  <Formula> (154)
C25H24N4O2

>  <MolWeight> (154)
412.48366

>  <Cat> (154)
S7208

>  <Name> (154)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (154)
GO 6850

>  <Target> (154)
PKC

>  <Form> (154)
Free Base

>  <CAS> (154)
133052-90-1

>  <URL> (154)
http://www.selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (155)
2821

>  <Formula> (155)
C17H18ClN3O2

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>  <Cat> (155)
S7300

>  <Name> (155)
PJ34 hcl

>  <Synonyms> (155)
N/A

>  <Target> (155)
PARP

>  <Form> (155)
Hydrochloride

>  <CAS> (155)
344458-15-7

>  <URL> (155)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (156)
2827

>  <Formula> (156)
C20H28ClN7O3S

>  <MolWeight> (156)
481.99942

>  <Cat> (156)
S7634

>  <Name> (156)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (156)
N/A

>  <Target> (156)
JAK

>  <Form> (156)
Hydrochloride

>  <CAS> (156)
1369761-01-2

>  <URL> (156)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/05071909472D

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>  <Mol_ID> (157)
2833

>  <Formula> (157)
C18H25N5S2

>  <MolWeight> (157)
375.5546

>  <Cat> (157)
S7618

>  <Name> (157)
MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (157)
N/A

>  <Target> (157)
Histone Methyltransferase

>  <Form> (157)
Free Base

>  <CAS> (157)
1271738-62-5

>  <URL> (157)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
SP2509.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (158)
2840

>  <Formula> (158)
C19H20ClN3O5S

>  <MolWeight> (158)
437.8972

>  <Cat> (158)
S7680

>  <Name> (158)
SP2509

>  <Synonyms> (158)
N/A

>  <Target> (158)
Histone Demethylase

>  <Form> (158)
Free Base

>  <CAS> (158)
1423715-09-6

>  <URL> (158)
http://www.selleckchem.com/products/sp2509.html

$$$$
GSK1324726A (I-BET726).cdx
csChFnd80/05071909472D

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2841

>  <Formula> (159)
C25H23ClN2O3

>  <MolWeight> (159)
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>  <Cat> (159)
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>  <Name> (159)
GSK1324726A (I-BET726)

>  <Synonyms> (159)
N/A

>  <Target> (159)
Epigenetic Reader Domain

>  <Form> (159)
Free Base

>  <CAS> (159)
1300031-52-0

>  <URL> (159)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

$$$$
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Histone Methyltransferase

>  <Form> (160)
Free Base

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1374601-40-7

>  <URL> (160)
http://www.selleckchem.com/products/brd4770.html

$$$$
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csChFnd80/05071909472D

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PX-478 2HCl

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N/A

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HIF

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Dihydrochlorid

>  <CAS> (161)
685898-44-6

>  <URL> (161)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
Reversine.cdx
csChFnd80/05071909472D

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C21H27N7O

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N/A

>  <Target> (162)
Adenosine Receptor

>  <Form> (162)
Free Base

>  <CAS> (162)
656820-32-5

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

$$$$
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csChFnd80/05071909472D

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HDAC

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1045792-66-2

>  <URL> (163)
http://www.selleckchem.com/products/cay10603.html

$$$$
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>  <Mol_ID> (169)
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OF-1

>  <Synonyms> (169)
N/A

>  <Target> (169)
Epigenetic Reader Domain

>  <Form> (169)
Free Base

>  <CAS> (169)
919973-83-4

>  <URL> (169)
http://www.selleckchem.com/products/of-1.html

$$$$
UNC0379.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (170)
2893

>  <Formula> (170)
C23H35N5O2

>  <MolWeight> (170)
413.5563

>  <Cat> (170)
S7570

>  <Name> (170)
UNC0379

>  <Synonyms> (170)
N/A

>  <Target> (170)
Histone Methyltransferase

>  <Form> (170)
Free Base

>  <CAS> (170)
1620401-82-2

>  <URL> (170)
http://www.selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (171)
2895

>  <Formula> (171)
C14H22Cl2N2

>  <MolWeight> (171)
289.24388

>  <Cat> (171)
S7574

>  <Name> (171)
GSK-LSD1 2HCl

>  <Synonyms> (171)
N/A

>  <Target> (171)
Histone Demethylase

>  <Form> (171)
Dihydrochloride

>  <CAS> (171)
1431368-48-7

>  <URL> (171)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (172)
2898

>  <Formula> (172)
C31H38N6O2

>  <MolWeight> (172)
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>  <Cat> (172)
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>  <Name> (172)
GSK126

>  <Synonyms> (172)
N/A

>  <Target> (172)
Histone Methyltransferase

>  <Form> (172)
Free Base

>  <CAS> (172)
1346574-57-9

>  <URL> (172)
http://www.selleckchem.com/products/gsk126.html

$$$$
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Histone Methyltransferase

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Free Base

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1616391-65-1

>  <URL> (173)
http://www.selleckchem.com/products/epz015666.html

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Sirtuin

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Free Base

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1093403-33-8

>  <URL> (174)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

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HDAC

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1440209-96-0

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http://www.selleckchem.com/products/brd73954.html

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>  <URL> (176)
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90417-38-2

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http://www.selleckchem.com/products/nu1025.html

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Histone Demethylase

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Free Base

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1373422-53-7

>  <URL> (178)
http://www.selleckchem.com/products/gsk-j1.html

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HDAC

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Free Base

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926259-99-6

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http://www.selleckchem.com/products/bg45.html

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AMPK

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1613724-42-7

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>  <Mol_ID> (182)
2961

>  <Formula> (182)
C27H36N4O5S

>  <MolWeight> (182)
528.66354

>  <Cat> (182)
S7616

>  <Name> (182)
CPI-169

>  <Synonyms> (182)
N/A

>  <Target> (182)
Histone Methyltransferase

>  <Form> (182)
Free Base

>  <CAS> (182)
1450655-76-1

>  <URL> (182)
http://www.selleckchem.com/products/cpi-169.html

$$$$
BI-847325.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (183)
2963

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C29H28N4O2

>  <MolWeight> (183)
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>  <Cat> (183)
S7843

>  <Name> (183)
BI-847325

>  <Synonyms> (183)
N/A

>  <Target> (183)
MEK

>  <Form> (183)
Free Base

>  <CAS> (183)
1207293-36-4

>  <URL> (183)
http://www.selleckchem.com/products/bi-847325.html

$$$$
AMI-1.cdx
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>  <Mol_ID> (184)
2975

>  <Formula> (184)
C21H14N2Na2O9S2

>  <MolWeight> (184)
548.4534

>  <Cat> (184)
S7884

>  <Name> (184)
AMI-1

>  <Synonyms> (184)
N/A

>  <Target> (184)
Histone Methyltransferase

>  <Form> (184)
disodium salt

>  <CAS> (184)
20324-87-2

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

$$$$
GSK503.cdx
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Histone Methyltransferase

>  <Form> (185)
Free Base

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1346572-63-1

>  <URL> (185)
http://www.selleckchem.com/products/gsk503.html

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JAK

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Free Base

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1226895-15-3

>  <URL> (186)
http://www.selleckchem.com/products/flll32.html

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Histone Methyltransferase

>  <Form> (187)
Free Base

>  <CAS> (187)
1802175-06-9

>  <URL> (187)
http://www.selleckchem.com/products/cpi-360.html

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1619994-68-1

>  <URL> (188)
http://www.selleckchem.com/products/gsk2801.html

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Sirtuin

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Free Base

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709002-46-0

>  <URL> (189)
http://www.selleck.cn/products/sirreal2.html

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N/A

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HIF

>  <Form> (190)
Free Base

>  <CAS> (190)
927822-86-4

>  <URL> (190)
http://www.selleckchem.com/products/kc7f2.html

$$$$
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>  <Formula> (191)
C21H24N4O3

>  <MolWeight> (191)
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>  <Cat> (191)
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>  <Name> (191)
PFI-4

>  <Synonyms> (191)
N/A

>  <Target> (191)
Epigenetic Reader Domain

>  <Form> (191)
Free Base

>  <CAS> (191)
900305-37-5

>  <URL> (191)
http://www.selleckchem.com/products/pfi-4.html

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C18H22N4O2

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Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (192)
N/A

>  <Target> (192)
JAK

>  <Form> (192)
Free Base

>  <CAS> (192)
944118-01-8

>  <URL> (192)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
GSK621.cdx
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1346607-05-3

>  <URL> (193)
http://www.selleckchem.com/products/gsk621.html

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>  <Mol_ID> (194)
3051

>  <Formula> (194)
C15H24Cl2N2

>  <MolWeight> (194)
303.27046

>  <Cat> (194)
S7795

>  <Name> (194)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (194)
N/A

>  <Target> (194)
Histone Demethylase

>  <Form> (194)
Dihydrochloride

>  <CAS> (194)
1431326-61-2

>  <URL> (194)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
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csChFnd80/05071909472D

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>  <Mol_ID> (195)
3062

>  <Formula> (195)
C18H19F3N6O

>  <MolWeight> (195)
392.3782696

>  <Cat> (195)
S7541

>  <Name> (195)
Decernotinib (VX-509)

>  <Synonyms> (195)
N/A

>  <Target> (195)
JAK

>  <Form> (195)
Free Base

>  <CAS> (195)
944842-54-0

>  <URL> (195)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
NVP-TNKS656.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (196)
3070

>  <Formula> (196)
C27H34N4O5

>  <MolWeight> (196)
494.58266

>  <Cat> (196)
S7238

>  <Name> (196)
NVP-TNKS656

>  <Synonyms> (196)
N/A

>  <Target> (196)
PARP

>  <Form> (196)
Free Base

>  <CAS> (196)
1419949-20-4

>  <URL> (196)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
FG-2216.cdx
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>  <Mol_ID> (197)
3073

>  <Formula> (197)
C12H9ClN2O4

>  <MolWeight> (197)
280.66386

>  <Cat> (197)
S7979

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FG-2216

>  <Synonyms> (197)
N/A

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HIF

>  <Form> (197)
Free Base

>  <CAS> (197)
223387-75-5

>  <URL> (197)
http://www.selleckchem.com/products/fg-2216.html

$$$$
SGC707.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (198)
3079

>  <Formula> (198)
C16H18N4O2

>  <MolWeight> (198)
298.33972

>  <Cat> (198)
S7832

>  <Name> (198)
SGC707

>  <Synonyms> (198)
N/A

>  <Target> (198)
Histone Methyltransferase

>  <Form> (198)
Free Base

>  <CAS> (198)
1687736-54-4

>  <URL> (198)
http://www.selleckchem.com/products/sgc707.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/05071909472D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
3085

>  <Formula> (199)
C13H14N8O2

>  <MolWeight> (199)
314.30266

>  <Cat> (199)
S8138

>  <Name> (199)
Molidustat(BAY 85-3934)

>  <Synonyms> (199)
N/A

>  <Target> (199)
HIF

>  <Form> (199)
Free Base

>  <CAS> (199)
1154028-82-6

>  <URL> (199)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
GSK2879552.cdx
csChFnd80/05071909472D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (200)
3089

>  <Formula> (200)
C23H30Cl2N2O2

>  <MolWeight> (200)
437.4025

>  <Cat> (200)
S7796

>  <Name> (200)
GSK2879552 2HCl

>  <Synonyms> (200)
N/A

>  <Target> (200)
Histone Demethylase

>  <Form> (200)
Dihydrochloride

>  <CAS> (200)
1401966-69-5

>  <URL> (200)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/05071909472D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (201)
3094

>  <Formula> (201)
C19H27N3O6

>  <MolWeight> (201)
393.43418

>  <Cat> (201)
S8171

>  <Name> (201)
Daprodustat (GSK1278863)

>  <Synonyms> (201)
N/A

>  <Target> (201)
HIF

>  <Form> (201)
Free Base

>  <CAS> (201)
960539-70-2

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

$$$$
MS023.cdx
csChFnd80/05071909472D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (202)
3095

>  <Formula> (202)
C17H25N3O

>  <MolWeight> (202)
287.3999

>  <Cat> (202)
S8112

>  <Name> (202)
MS023

>  <Synonyms> (202)
N/A

>  <Target> (202)
Histone Methyltransferase

>  <Form> (202)
Free Base

>  <CAS> (202)
1831110-54-3

>  <URL> (202)
http://www.selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/05071909472D

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    1.2787    7.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2630    0.4128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9172    6.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9172    8.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3062    1.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5286    2.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9954    5.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8803    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  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 38  1  6  0  0  0
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 23 31  2  0  0  0  0
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 25 34  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  1  0  0  0
 28 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  1  0  0  0
 32 37  1  0  0  0  0
 36 40  1  0  0  0  0
  7 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 16  1  0  0  0  0
 26 45  1  0  0  0  0
 45 46  1  0  0  0  0
 21 47  2  0  0  0  0
 18 48  2  0  0  0  0
M  END
>  <Mol_ID> (203)
3097

>  <Formula> (203)
C30H28N6O6S4

>  <MolWeight> (203)
696.83992

>  <Cat> (203)
S8068

>  <Name> (203)
Chaetocin

>  <Synonyms> (203)
N/A

>  <Target> (203)
Histone Methyltransferase

>  <Form> (203)
Free Base

>  <CAS> (203)
28097-03-2

>  <URL> (203)
http://www.selleckchem.com/products/chaetocin.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/05071909472D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.6947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    5.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9154    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1236    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  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  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
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 24 25  2  0  0  0  0
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 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (204)
3114

>  <Formula> (204)
C19H27N5O6S

>  <MolWeight> (204)
453.51258

>  <Cat> (204)
S8195

>  <Name> (204)
Oclacitinib maleate

>  <Synonyms> (204)
PF-03394197

>  <Target> (204)
JAK

>  <Form> (204)
Free Base

>  <CAS> (204)
1640292-55-2

>  <URL> (204)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
PF-CBP1.cdx
csChFnd80/05071909472D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.4282    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    3.0710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    5.3363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    6.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866    6.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192    8.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7886    8.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    9.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844   10.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9150   10.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    9.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.1202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7074    2.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 25 18  2  0  0  0  0
 21 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 21  1  0  0  0  0
 25 31  1  0  0  0  0
 22 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (205)
3118

>  <Formula> (205)
C29H37ClN4O3

>  <MolWeight> (205)
525.08208

>  <Cat> (205)
S8180

>  <Name> (205)
PF-CBP1 HCL

>  <Synonyms> (205)
N/A

>  <Target> (205)
Epigenetic Reader Domain

>  <Form> (205)
Hydrochloride

>  <URL> (205)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/05071909472D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8390    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6887    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (206)
3121

>  <Formula> (206)
C22H28N4O2

>  <MolWeight> (206)
380.48332

>  <Cat> (206)
S8111

>  <Name> (206)
GSK591 (EPZ015866,GSK3203591)

>  <Synonyms> (206)
EPZ015866, GSK3203591

>  <Target> (206)
Histone Methyltransferase

>  <Form> (206)
Free Base

>  <CAS> (206)
1616391-87-7

>  <URL> (206)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
HLCL-61.cdx
csChFnd80/05071909472D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1575    4.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (207)
3126

>  <Formula> (207)
C23H25ClN2O

>  <MolWeight> (207)
380.9104

>  <Cat> (207)
S8209

>  <Name> (207)
HLCL-61 hydrochloride

>  <Synonyms> (207)
HLCL61

>  <Target> (207)
Histone Methyltransferase

>  <Form> (207)
Hydrochloride

>  <CAS> (207)
1158279-20-9

>  <URL> (207)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
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>  <Mol_ID> (208)
3127

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C22H22F3N3O3S2

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S7835

>  <Name> (208)
I-BRD9 (GSK602)

>  <Synonyms> (208)
GSK602

>  <Target> (208)
Epigenetic Reader Domain

>  <Form> (208)
Free Base

>  <CAS> (208)
1714146-59-4

>  <URL> (208)
http://www.selleckchem.com/products/i-brd9-gsk602.html

$$$$
ETC-1002.cdx
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>  <Mol_ID> (209)
3138

>  <Formula> (209)
C19H36O5

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344.48614

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S7953

>  <Name> (209)
ETC-1002

>  <Synonyms> (209)
Bempedoic acid|ESP-55016

>  <Target> (209)
AMPK

>  <Form> (209)
Free Base

>  <CAS> (209)
738606-46-7

>  <URL> (209)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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>  <Mol_ID> (210)
3163

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C20H23N3O3

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S8179

>  <Name> (210)
BI-7273

>  <Synonyms> (210)
N/A

>  <Target> (210)
Epigenetic Reader Domain

>  <Form> (210)
Free Base

>  <CAS> (210)
1883429-21-7

>  <URL> (210)
http://www.selleckchem.com/products/bi-7273.html

$$$$
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>  <Name> (211)
A-366

>  <Synonyms> (211)
N/A

>  <Target> (211)
Histone Methyltransferase

>  <Form> (211)
Free Base

>  <CAS> (211)
1527503-11-2

>  <URL> (211)
http://www.selleckchem.com/products/a-366.html

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/05071909472D

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3207

>  <Formula> (212)
C26H28N4O4S

>  <MolWeight> (212)
492.58992

>  <Cat> (212)
S7625

>  <Name> (212)
MK-4827(Niraparib) tosylate

>  <Synonyms> (212)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (212)
PARP

>  <Form> (212)
4-?methylbenzen

>  <CAS> (212)
1038915-73-9

>  <URL> (212)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
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C13H7Cl2N3O

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292.12018

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S8323

>  <Name> (213)
ITSA-1 (ITSA1)

>  <Synonyms> (213)
N/A

>  <Target> (213)
HDAC

>  <Form> (213)
Free Base

>  <CAS> (213)
200626-61-5

>  <URL> (213)
http://www.selleckchem.com/products/itsa-1-itsa1.html

$$$$
LY333531.cdx
csChFnd80/05071909472D

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C28H29ClN4O3

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>  <Name> (214)
LY333531 HCl

>  <Synonyms> (214)
Ruboxistaurin

>  <Target> (214)
PKC

>  <Form> (214)
hydrochloride

>  <CAS> (214)
169939-93-9

>  <URL> (214)
http://www.selleckchem.com/products/ly333531.html

$$$$
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BI-9564

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Epigenetic Reader Domain

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Free Base

>  <CAS> (215)
1883429-22-8

>  <URL> (215)
http://www.selleckchem.com/products/bi-9564.html

$$$$
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JAK

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Free Base

>  <CAS> (216)
1271022-90-2

>  <URL> (216)
http://www.selleckchem.com/products/bms-911543.html

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Free Base

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130209-82-4

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

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http://www.selleckchem.com/products/cpi-637.html

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>  <Cat> (219)
S7833

>  <Name> (219)
OICR-9429

>  <Synonyms> (219)
N/A

>  <Target> (219)
Histone Methyltransferase

>  <Form> (219)
Free Base

>  <CAS> (219)
1801787-56-3

>  <URL> (219)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
CPI-1205.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (220)
3275

>  <Formula> (220)
C27H33F3N4O3

>  <MolWeight> (220)
518.5711296

>  <Cat> (220)
S8353

>  <Name> (220)
CPI-1205

>  <Synonyms> (220)
CPI 1205, CPI1205

>  <Target> (220)
Histone Methyltransferase

>  <Form> (220)
Free Base

>  <CAS> (220)
1621862-70-1

>  <URL> (220)
http://www.selleckchem.com/products/cpi-1205.html

$$$$
BGP-15.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (221)
3285

>  <Formula> (221)
C14H24Cl2N4O2

>  <MolWeight> (221)
351.27196

>  <Cat> (221)
S8370

>  <Name> (221)
BGP-15 2HCl

>  <Synonyms> (221)
N/A

>  <Target> (221)
PARP

>  <Form> (221)
dihydrochloride

>  <CAS> (221)
66611-37-8

>  <URL> (221)
http://www.selleckchem.com/products/bgp-15.html

$$$$
UNC3866.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (222)
3295

>  <Formula> (222)
C43H66N6O8

>  <MolWeight> (222)
795.01954

>  <Cat> (222)
S8359

>  <Name> (222)
UNC3866

>  <Synonyms> (222)
Free Base

>  <Target> (222)
Histone Methyltransferase

>  <Form> (222)
Free Base

>  <CAS> (222)
1872382-47-2

>  <URL> (222)
http://www.selleckchem.com/products/unc3866.html

$$$$
MS049.cdx
csChFnd80/05071909472D

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C15H26Cl2N2O

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>  <Name> (223)
MS049

>  <Synonyms> (223)
N/A

>  <Target> (223)
Histone Methyltransferase

>  <Form> (223)
dihydrochloride

>  <CAS> (223)
1502816-23-0(free base)

>  <URL> (223)
http://www.selleckchem.com/products/ms049.html

$$$$
SRT2183.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (224)
3313

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C27H24N4O2S

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468.57006

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S8270

>  <Name> (224)
SRT2183

>  <Synonyms> (224)
N/A

>  <Target> (224)
Sirtuin

>  <Form> (224)
Free Base

>  <CAS> (224)
1001908-89-9

>  <URL> (224)
http://www.selleckchem.com/products/srt2183.html

$$$$
UNC0638.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (225)
3315

>  <Formula> (225)
C30H47N5O2

>  <MolWeight> (225)
509.72648

>  <Cat> (225)
S8071

>  <Name> (225)
UNC0638

>  <Synonyms> (225)
N/A

>  <Target> (225)
Histone Methyltransferase

>  <Form> (225)
Free Base

>  <CAS> (225)
1255580-76-7

>  <URL> (225)
http://www.selleckchem.com/products/unc0638.html

$$$$
EPZ020411.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (226)
3322

>  <Formula> (226)
C25H40Cl2N4O3

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>  <Cat> (226)
S7820

>  <Name> (226)
EPZ020411 2HCl

>  <Synonyms> (226)
N/A

>  <Target> (226)
Histone Methyltransferase

>  <Form> (226)
dihydrochloride

>  <CAS> (226)
1700663-41-7(free base)

>  <URL> (226)
http://www.selleckchem.com/products/epz020411.html

$$$$
RRx-001.cdx
csChFnd80/05071909472D

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RRx-001

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Dehydrogenase

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Free Base

>  <CAS> (227)
925206-65-1

>  <URL> (227)
http://www.selleckchem.com/products/rrx-001.html

$$$$
Thiomyristoyl.cdx
csChFnd80/05071909472D

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3351

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C34H51N3O3S

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Thiomyristoyl

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TM

>  <Target> (228)
Sirtuin

>  <Form> (228)
Free Base

>  <CAS> (228)
1429749-41-6

>  <URL> (228)
http://www.selleckchem.com/products/thiomyristoyl.html

$$$$
Salermide.cdx
csChFnd80/05071909472D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (229)
3358

>  <Formula> (229)
C26H22N2O2

>  <MolWeight> (229)
394.46508

>  <Cat> (229)
S8460

>  <Name> (229)
Salermide

>  <Synonyms> (229)
N/A

>  <Target> (229)
Sirtuin

>  <Form> (229)
Free Base

>  <CAS> (229)
1105698-15-4

>  <URL> (229)
http://www.selleckchem.com/products/salermide.html

$$$$
YC-1.cdx
csChFnd80/05071909472D

 23 26  0  0  0  0  0  0  0  0999 V2000
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3360

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C19H16N2O2

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304.34254

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Lificiguat(YC-1)

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N/A

>  <Target> (230)
HIF

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Free Base

>  <CAS> (230)
170632-47-0

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

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/05071909472D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (231)
3362

>  <Formula> (231)
C22H19F2N3O4S

>  <MolWeight> (231)
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>  <Cat> (231)
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>  <Name> (231)
ABBV-075 (Mivebresib)

>  <Synonyms> (231)
N/A

>  <Target> (231)
Epigenetic Reader Domain

>  <Form> (231)
Free Base

>  <CAS> (231)
1445993-26-9

>  <URL> (231)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/05071909472D

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1140964-99-3

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1187990-87-9
1187990-87-9

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Epigenetic Reader Domain

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Free Base

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1910124-24-1

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http://www.selleckchem.com/products/gsk6853.html

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3384

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C31H32ClN5O2S2

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SRT3025 HCl

>  <Synonyms> (237)
N/A

>  <Target> (237)
Sirtuin activator

>  <Form> (237)
hydrochloride

>  <CAS> (237)
2070015-26-6

>  <URL> (237)
http://www.selleckchem.com/products/srt3025.html

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C17H15N5O3S

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EED226

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N/A

>  <Target> (238)
Epigenetic Reader Domain

>  <Form> (238)
Free Base

>  <CAS> (238)
2083627-02-3

>  <URL> (238)
http://www.selleckchem.com/products/eed226.html

$$$$
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3387

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BIX 01294

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>  <Target> (239)
Histone Methyltransferase

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trihydrochloride

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1392399-03-9

>  <URL> (239)
http://www.selleckchem.com/products/bix-01294.html

$$$$
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1982372-88-2

>  <URL> (240)
http://www.selleckchem.com/products/a-196.html

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CARM1

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free base

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1821908-48-8

>  <URL> (241)
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1314891-22-9

>  <URL> (242)
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>  <URL> (243)
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free base

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934593-90-5

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Tucidinostat (Chidamide)

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743420-02-2

>  <URL> (245)
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3-(1H-1,2,3-triazol-4-yl) pyridine

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SIRT3,SIRT1,SIRT2

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free base

>  <CAS> (246)
120241-79-4

>  <URL> (246)
http://www.selleckchem.com/products/3-typ.html

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PF-06726304.cdx
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C22H21Cl2N3O3

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PF-06726304

>  <Synonyms> (247)
PF-6726304

>  <Target> (247)
Ezh2 (wild-type),EZH2 Y641N

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free base

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1616287-82-1

>  <URL> (247)
http://www.selleckchem.com/products/pf-06726304.html

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CP2.cdx
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M  END
>  <Mol_ID> (248)
3459

>  <Formula> (248)
C92H120N24O26S

>  <MolWeight> (248)
2010.1474

>  <Cat> (248)
S8601

>  <Name> (248)
CP2

>  <Synonyms> (248)
N/A

>  <Target> (248)
KDM4C,KDM4A

>  <Form> (248)
free base

>  <CAS> (248)
No

>  <URL> (248)
http://www.selleckchem.com/products/cp2.html

$$$$
PF-06409577.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (249)
3466

>  <Formula> (249)
C19H16ClNO3

>  <MolWeight> (249)
341.78824

>  <Cat> (249)
S8335

>  <Name> (249)
PF-06409577

>  <Synonyms> (249)
N/A

>  <Target> (249)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (249)
free base

>  <CAS> (249)
1467057-23-3

>  <URL> (249)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
ACY-738.cdx
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M  END
>  <Mol_ID> (250)
3482

>  <Formula> (250)
C14H14N4O2

>  <MolWeight> (250)
270.28656

>  <Cat> (250)
S8648

>  <Name> (250)
ACY-738

>  <Synonyms> (250)
N/A

>  <Target> (250)
HDAC6

>  <Form> (250)
free base

>  <CAS> (250)
1375465-91-0

>  <URL> (250)
http://www.selleckchem.com/products/acy-738.html

$$$$
GSK3326595 (EPZ015938).cdx
csChFnd80/05071909472D

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>  <Mol_ID> (251)
3495

>  <Formula> (251)
C24H32N6O3

>  <MolWeight> (251)
452.54928

>  <Cat> (251)
S8664

>  <Name> (251)
GSK3326595 (EPZ015938)

>  <Synonyms> (251)
N/A

>  <Target> (251)
PRMT5

>  <Form> (251)
free base

>  <CAS> (251)
1616392-22-3

>  <URL> (251)
http://www.selleckchem.com/products/gsk3326595-epz015938.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/05071909472D

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M  END
>  <Mol_ID> (252)
3513

>  <Formula> (252)
C8H16O2

>  <MolWeight> (252)
144.21144

>  <Cat> (252)
S3944

>  <Name> (252)
Valproic acid

>  <Synonyms> (252)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (252)
HDAC1

>  <Form> (252)
free base

>  <CAS> (252)
99-66-1

>  <URL> (252)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
WT161.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (253)
3544

>  <Formula> (253)
C27H30N4O3

>  <MolWeight> (253)
458.5521

>  <Cat> (253)
S8495

>  <Name> (253)
WT161

>  <Synonyms> (253)
N/A

>  <Target> (253)
HDAC1,2,6

>  <Form> (253)
free base

>  <CAS> (253)
1206731-57-8

>  <URL> (253)
http://www.selleckchem.com/products/wt161.html

$$$$
OSS_128167.cdx
csChFnd80/05071909472D

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>  <Mol_ID> (254)
3546

>  <Formula> (254)
C19H14N2O6

>  <MolWeight> (254)
366.32426

>  <Cat> (254)
S8627

>  <Name> (254)
OSS-128167

>  <Synonyms> (254)
SIRT6-IN-1

>  <Target> (254)
SIRT6,SIRT1,SIRT2

>  <Form> (254)
free base

>  <CAS> (254)
887686-02-4

>  <URL> (254)
http://www.selleckchem.com/products/oss-128167.html

$$$$
LLY-283.cdx
csChFnd80/05071909472D

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    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> (259)
3686

>  <Formula> (259)
C18H15ClN6OS2

>  <MolWeight> (259)
430.9343

>  <Cat> (259)
S8699

>  <Name> (259)
SNS-314 Mesylate

>  <Synonyms> (259)
N/A

>  <Target> (259)
Aurora Kinase

>  <CAS> (259)
1057249-41-8

>  <URL> (259)
http://selleckchem.com/products/sns-314.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/05071909472D

 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> (260)
3761

>  <Formula> (260)
C10H16N5O8P

>  <MolWeight> (260)
365.236501

>  <Cat> (260)
S5284

>  <Name> (260)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (260)
5'-Adenylic acid, 5'-AMP

>  <Target> (260)
AMPK

>  <Form> (260)
hydrate 

>  <CAS> (260)
18422-05-4

>  <URL> (260)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/05071909472D

 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> (261)
3935

>  <Formula> (261)
C12H9ClO2S

>  <MolWeight> (261)
252.71666

>  <Cat> (261)
S5438

>  <Name> (261)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (261)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (261)
HDAC

>  <Form> (261)
free base

>  <CAS> (261)
1623-93-4

>  <URL> (261)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/05071909472D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8451    1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    4.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    3.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    5.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    1.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    3.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    1.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3353    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    3.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    4.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7604    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    4.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9730    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9729    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    5.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1854    1.2169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3978    0.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4850    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8850    2.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (262)
3940

>  <Formula> (262)
C21H16N2O9S2

>  <MolWeight> (262)
504.48974

>  <Cat> (262)
S5445

>  <Name> (262)
AMI-1, free acid

>  <Synonyms> (262)
N/A

>  <Target> (262)
Histone Methyltransferase

>  <Form> (262)
free base

>  <CAS> (262)
134-47-4

>  <URL> (262)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/05071909472D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6999    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1411    5.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1344    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3536    6.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    7.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    5.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2555    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7798    6.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    4.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    8.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    7.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    8.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    7.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    6.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (263)
4040

>  <Formula> (263)
C20H18O6

>  <MolWeight> (263)
354.35332

>  <Cat> (263)
S3934

>  <Name> (263)
Acetyl Resveratrol

>  <Synonyms> (263)
N/A

>  <Target> (263)
Sirt12

>  <Form> (263)
free base

>  <CAS> (263)
42206-94-0

>  <URL> (263)
http://selleckchem.com/products/.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/05071909472D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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491-36-1

$$$$
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csChFnd80/05071909472D

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Phorbol

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17673-25-5

$$$$
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csChFnd80/05071909472D

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>  <Name> (266)
Raddeanin A

>  <Form> (266)
free base

>  <CAS> (266)
89412-79-3

$$$$
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csChFnd80/05071909472D

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C20H21N3O2

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335.39964

>  <Cat> (267)
S8049

>  <Name> (267)
Tubastatin A

>  <Target> (267)
others

>  <CAS> (267)
1252003-15-8

>  <URL> (267)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/05071909472D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (268)
4803

>  <Formula> (268)
C17H13N3O2

>  <MolWeight> (268)
291.30402

>  <Cat> (268)
S5772

>  <Name> (268)
AS-8351

>  <Synonyms> (268)
N/A

>  <Target> (268)
Histone Demethylase

>  <Form> (268)
Free Base

>  <CAS> (268)
796-42-9

>  <URL> (268)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/05071909472D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (269)
4829

>  <Formula> (269)
C11H15BrN2O

>  <MolWeight> (269)
271.1536

>  <Cat> (269)
S5810

>  <Name> (269)
UF010

>  <Synonyms> (269)
N/A

>  <Target> (269)
HDAC

>  <Form> (269)
Free Base

>  <CAS> (269)
537672-41-6 

>  <URL> (269)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/05071909472D

 14 13  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (270)
4884

>  <Formula> (270)
C8H16N2O4

>  <MolWeight> (270)
204.22364

>  <Cat> (270)
S5905

>  <Name> (270)
Suberohydroxamic acid

>  <Synonyms> (270)
suberic bishydroxamic acid

>  <Target> (270)
HDAC

>  <Form> (270)
Free Base

>  <CAS> (270)
38937-66-5

>  <URL> (270)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/05071909472D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 13  2  1  0  0  0  0
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 12  3  2  0  0  0  0
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 10  5  2  0  0  0  0
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  8  7  1  0  0  0  0
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 11  8  2  0  0  0  0
 14  9  1  0  0  0  0
 18  9  2  0  0  0  0
 15 11  1  0  0  0  0
 17 11  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
 22 18  1  0  0  0  0
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 26 23  1  0  0  0  0
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M  END
>  <Mol_ID> (271)
4890

>  <Formula> (271)
C21H16N2O2S

>  <MolWeight> (271)
360.42894

>  <Cat> (271)
S5913

>  <Name> (271)
Cambinol

>  <Synonyms> (271)
N/A

>  <Target> (271)
TNF-alpha

>  <Form> (271)
Free Base

>  <CAS> (271)
14513-15-6

>  <URL> (271)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/05071909472D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (272)
4891

>  <Formula> (272)
C19H21BrN2O3S

>  <MolWeight> (272)
437.35064

>  <Cat> (272)
S5914

>  <Name> (272)
AK 7

>  <Synonyms> (272)
N/A

>  <Target> (272)
Sirtuin

>  <Form> (272)
Free Base

>  <CAS> (272)
420831-40-9

>  <URL> (272)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/05071909472D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (273)
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901245-65-6

>  <URL> (273)
http://www.selleckchem.com/products/gsk-5959.html

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>  <Mol_ID> (274)
4895

>  <Formula> (274)
C22H15FN4O2S

>  <MolWeight> (274)
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>  <Cat> (274)
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CAY10602

>  <Synonyms> (274)
N/A

>  <Target> (274)
Sirtuin

>  <Form> (274)
Free Base

>  <CAS> (274)
374922-43-7

>  <URL> (274)
http://www.selleckchem.com/products/cay10602.html

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csChFnd80/05071909472D

 25 27  0  0  0  0  0  0  0  0999 V2000
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4916

>  <Formula> (275)
C17H13ClNO5P

>  <MolWeight> (275)
377.715581

>  <Cat> (275)
S8409

>  <Name> (275)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (275)
N/A

>  <Target> (275)
Epigenetic Reader Do

>  <Form> (275)
Free Base

>  <CAS> (275)
18228-17-6

>  <URL> (275)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/05071909472D

 22 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (276)
4920

>  <Formula> (276)
C16H15FN4O

>  <MolWeight> (276)
298.3149032

>  <Cat> (276)
S8592

>  <Name> (276)
Pamiparib (BGB-290)

>  <Synonyms> (276)
N/A

>  <Target> (276)
PARP

>  <Form> (276)
Free Base

>  <CAS> (276)
1446261-44-4

>  <URL> (276)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/05071909472D

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>  <Mol_ID> (277)
4923

>  <Formula> (277)
C24H18ClN3O3

>  <MolWeight> (277)
431.87102

>  <Cat> (277)
S8654

>  <Name> (277)
ex229 (compound 991)

>  <Synonyms> (277)
N/A

>  <Target> (277)
AMPK

>  <Form> (277)
Free Base

>  <CAS> (277)
1219739-36-2

>  <URL> (277)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/05071909472D

 42 46  0  0  0  0  0  0  0  0999 V2000
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4927

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2098546-05-3

>  <URL> (278)
http://www.selleckchem.com/products/ebi-2511.html

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csChFnd80/05071909472D

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>  <Synonyms> (279)
N/A

>  <Target> (279)
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Free Base

>  <CAS> (279)
1820889-23-3

>  <URL> (279)
http://www.selleckchem.com/products/incb057643.html

$$$$

csChFnd80/05071909472D

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4929

>  <Formula> (280)
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>  <MolWeight> (280)
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>  <Cat> (280)
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2138861-99-9

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http://www.selleckchem.com/products/abbv-744.html

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M  END
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4930

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C18H18FN5O2S

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387.4312232

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>  <Synonyms> (281)
N/A

>  <Target> (281)
CDK

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Free Base

>  <CAS> (281)
1414943-88-6

>  <URL> (281)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

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csChFnd80/05071909472D

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>  <Mol_ID> (282)
4937

>  <Formula> (282)
C22H18N4

>  <MolWeight> (282)
338.40512

>  <Cat> (282)
S8749

>  <Name> (282)
MBQ-167

>  <Synonyms> (282)
N/A

>  <Target> (282)
Rho

>  <Form> (282)
Free Base

>  <CAS> (282)
2097938-73-1

>  <URL> (282)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/05071909472D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (283)
4945

>  <Formula> (283)
C16H16N4O2

>  <MolWeight> (283)
296.32384

>  <Cat> (283)
S8763

>  <Name> (283)
ZL0420

>  <Synonyms> (283)
N/A

>  <Target> (283)
Epigenetic Reader Do

>  <Form> (283)
Free Base

>  <CAS> (283)
2229039-45-4

>  <URL> (283)
http://www.selleckchem.com/products/zl0420.html

$$$$

csChFnd80/05071909472D

 27 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (284)
4948

>  <Formula> (284)
C23H32N2O2

>  <MolWeight> (284)
368.51238

>  <Cat> (284)
S8771

>  <Name> (284)
IDF-11774

>  <Synonyms> (284)
N/A

>  <Target> (284)
HIF

>  <Form> (284)
Free Base

>  <CAS> (284)
1429054-28-3

>  <URL> (284)
http://www.selleckchem.com/products/idf-11774.html

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csChFnd80/05071909472D

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>  <Mol_ID> (285)
4950

>  <Formula> (285)
C15H16N2O2

>  <MolWeight> (285)
256.29974

>  <Cat> (285)
S8773

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TH34

>  <Synonyms> (285)
N/A

>  <Target> (285)
HDAC

>  <Form> (285)
Free Base

>  <CAS> (285)
2196203-96-8

>  <URL> (285)
http://www.selleckchem.com/products/th34.html

$$$$

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5291

>  <Formula> (289)
C42H45ClN8O7S

>  <MolWeight> (289)
841.3741

>  <Cat> (289)
S8762

>  <Name> (289)
dBET6

>  <Synonyms> (289)
N/A

>  <Target> (289)
Epigenetic Reader Do

>  <Form> (289)
free base

>  <CAS> (289)
1950634-92-0

>  <URL> (289)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/05071909472D

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5292

>  <Formula> (290)
C14H21N5O2S

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>  <Cat> (290)
S8765

>  <Name> (290)
PF-04965842

>  <Synonyms> (290)
N/A

>  <Target> (290)
JAK

>  <Form> (290)
free base

>  <CAS> (290)
1622902-68-4

>  <URL> (290)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/05071909472D

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5300

>  <Formula> (291)
C5H7N3O

>  <MolWeight> (291)
125.12858

>  <Cat> (291)
S6021

>  <Name> (291)
5-Methylcytosine

>  <Synonyms> (291)
N/A

>  <Target> (291)
Others

>  <Form> (291)
free base

>  <CAS> (291)
554-01-8

>  <URL> (291)
http://www.selleck.cn/products/5-methylcytosine.html

$$$$
