ABT-888(Veliparib).cdx
csChFnd80/06042015232D

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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
csChFnd80/06042015232D

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C21H23N3O2

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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
csChFnd80/06042015232D

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>  <Mol_ID> (3)
3

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C18H20N2O3

>  <MolWeight> (3)
312.363

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S2244

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AR-42 (HDAC-42)

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OSU-HDAC42

>  <Target> (3)
HDAC 

>  <Form> (3)
Free Base

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

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

$$$$
vorinostat.cdx
csChFnd80/06042015232D

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4

>  <Formula> (4)
C14H20N2O3

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>  <Cat> (4)
S1047

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

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

>  <Target> (4)
HDAC

>  <Form> (4)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (5)
5

>  <Formula> (5)
C23H28N8OS

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

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

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/06042015232D

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HDAC 

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209783-80-2

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untitled.cdx
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>  <Mol_ID> (7)
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>  <Formula> (7)
C32H29N5O2

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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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csChFnd80/06042015232D

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8

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C24H23FN4O3

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KU-0059436 

>  <Target> (8)
PARP 

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

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

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

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

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

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404951-53-7

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331771-20-1

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

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827318-97-8

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>  <Mol_ID> (18)
18

>  <Formula> (18)
C23H20N6O

>  <MolWeight> (18)
396.4445

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S1122

>  <Name> (18)
Mocetinostat (MGCD0103)

>  <Synonyms> (18)
N/A 

>  <Target> (18)
HDAC 

>  <Form> (18)
Free Base

>  <CAS> (18)
726169-73-9

>  <URL> (18)
http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

$$$$
SRT1720.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (19)
19

>  <Formula> (19)
C25H24ClN7OS

>  <MolWeight> (19)
506.02236

>  <Cat> (19)
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>  <Name> (19)
SRT1720 HCl

>  <Synonyms> (19)
N/A

>  <Target> (19)
Sirtuin

>  <Form> (19)
Hydrochloride

>  <CAS> (19)
1001645-58-4

>  <URL> (19)
http://www.selleckchem.com/products/SRT1720.html

$$$$
ino-1001.cdx
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>  <Mol_ID> (20)
20

>  <Formula> (20)
C7H8N2O

>  <MolWeight> (20)
136.15122

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S1132

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INO-1001 (3-Aminobenzamide)

>  <Synonyms> (20)
N/A

>  <Target> (20)
PARP 

>  <Form> (20)
Free Base

>  <CAS> (20)
3544-24-9

>  <URL> (20)
http://www.selleckchem.com/products/INO-1001.html

$$$$
mln8237.cdx
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>  <Mol_ID> (21)
21

>  <Formula> (21)
C27H20ClFN4O4

>  <MolWeight> (21)
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>  <Cat> (21)
S1133

>  <Name> (21)
MLN8237 (Alisertib)

>  <Synonyms> (21)
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>  <Target> (21)
Aurora Kinase

>  <Form> (21)
Free Base

>  <CAS> (21)
1028486-01-2

>  <URL> (21)
http://www.selleckchem.com/products/MLN8237.html

$$$$
AT9283.cdx
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Bcr-Abl, JAK, Aurora Kinase

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Free Base

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896466-04-9

>  <URL> (22)
http://www.selleckchem.com/products/AT9283.html

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Aurora Kinase

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Free Base

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722544-51-6

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

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CYC116

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N/A

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Aurora Kinase, VEGFR

>  <Form> (24)
Free Base

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

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

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C14H11F3N2OS

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XAV-939

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N/A 

>  <Target> (25)
Wnt/beta-catenin

>  <Form> (25)
Free Base

>  <CAS> (25)
284028-89-3

>  <URL> (25)
http://www.selleckchem.com/products/XAV-939.html

$$$$
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Flt, Aurora Kinase, VEGFR

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934353-76-1

>  <URL> (26)
http://www.selleckchem.com/products/ENMD-2076.html

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   18.1487    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7818    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  3  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 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 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (27)
28

>  <Formula> (27)
C24H26N4O4

>  <MolWeight> (27)
434.48764

>  <Cat> (27)
S1194

>  <Name> (27)
CUDC-101

>  <Synonyms> (27)
N/A

>  <Target> (27)
HDAC, EGFR, HER2

>  <Form> (27)
Free Base

>  <CAS> (27)
1012054-59-9

>  <URL> (27)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/06042015232D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8601    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9786    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2856    1.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6036    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    4.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4726    5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1656    6.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    5.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    6.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    6.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  4  8  1  6  0  0  0
  1  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (28)
29

>  <Formula> (28)
C8H12N4O4

>  <MolWeight> (28)
228.20528

>  <Cat> (28)
S1200

>  <Name> (28)
Decitabine

>  <Synonyms> (28)
Dacogen

>  <Target> (28)
DNA/RNA Synthesis

>  <Form> (28)
Free Base

>  <CAS> (28)
2353-33-5

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

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/06042015232D

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    8.6421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.6421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1201   10.0421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077   10.7421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953   10.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053    9.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077   12.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   10.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    7.9445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2775    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 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  9  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 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 17  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 26 32  1  1  0  0  0
 30 33  1  1  0  0  0
 29 34  1  1  0  0  0
 28 35  1  1  0  0  0
 22 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  2  0  0  0  0
 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (29)
30

>  <Formula> (29)
C27H30ClNO11

>  <MolWeight> (29)
579.9802

>  <Cat> (29)
S1208

>  <Name> (29)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (29)
N/A 

>  <Target> (29)
Topoisomerase

>  <Form> (29)
Hydrochloride

>  <CAS> (29)
25316-40-9

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

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/06042015232D

  9  9  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 N   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
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 F   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
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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  4  7  1  0  0  0  0
  3  8  2  0  0  0  0
  1  9  2  0  0  0  0
M  END
>  <Mol_ID> (30)
31

>  <Formula> (30)
C4H3FN2O2

>  <MolWeight> (30)
130.0772232

>  <Cat> (30)
S1209

>  <Name> (30)
Adrucil (Fluorouracil)

>  <Synonyms> (30)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (30)
DNA/RNA Synthesis

>  <Form> (30)
Free Base

>  <CAS> (30)
51-21-8

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

$$$$
Etoposide.cdx
csChFnd80/06042015232D

 47 53  0  0  0  0  0  0  0  0999 V2000
    6.0538    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9035    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2350    5.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2350    8.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.2708    0.7428    0.0000 H   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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  4  5  2  0  0  0  0
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (31)
32

>  <Formula> (31)
C29H32O13

>  <MolWeight> (31)
588.55658

>  <Cat> (31)
S1225

>  <Name> (31)
Etoposide (VP-16)
Etoposide

>  <Synonyms> (31)
Vepesid 

>  <Target> (31)
Topoisomerase

>  <Form> (31)
Free Base

>  <CAS> (31)
33419-42-0

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

$$$$
2-Methoxyestradiol.cdx
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (32)
33

>  <Formula> (32)
C19H26O3

>  <MolWeight> (32)
302.40794

>  <Cat> (32)
S1233

>  <Name> (32)
2-Methoxyestradiol

>  <Synonyms> (32)
2-ME2

>  <Target> (32)
HIF

>  <Form> (32)
Free Base

>  <CAS> (32)
362-07-2

>  <URL> (32)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/06042015232D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4622    0.0000    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  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  1 10  1  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (33)
34

>  <Formula> (33)
C6H6N6O2

>  <MolWeight> (33)
194.15084

>  <Cat> (33)
S1237

>  <Name> (33)
Temozolomide

>  <Synonyms> (33)
Methazolastone, Temodar, Temodal

>  <Target> (33)
DNA/RNA Synthesis

>  <Form> (33)
Free Base

>  <CAS> (33)
85622-93-1

>  <URL> (33)
http://www.selleckchem.com/products/Methazolastone.html

$$$$
JNJ-7706621.cdx
csChFnd80/06042015232D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6976    4.8115    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  4 11  1  0  0  0  0
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 18 27  2  0  0  0  0
M  END
>  <Mol_ID> (34)
35

>  <Formula> (34)
C15H12F2N6O3S

>  <MolWeight> (34)
394.3559864

>  <Cat> (34)
S1249

>  <Name> (34)
JNJ-7706621

>  <Synonyms> (34)
N/A 

>  <Target> (34)
CDK, Aurora Kinase

>  <Form> (34)
Free Base

>  <CAS> (34)
443797-96-4

>  <URL> (34)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
Nicotinamide.cdx
csChFnd80/06042015232D

  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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (35)
36

>  <Formula> (35)
C6H6N2O

>  <MolWeight> (35)
122.12464

>  <Cat> (35)
S1899

>  <Name> (35)
Nicotinamide (Vitamin B3)

>  <Synonyms> (35)
Niacinamide

>  <Target> (35)
Sirtuin

>  <Form> (35)
Free Base

>  <CAS> (35)
98-92-0

>  <URL> (35)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

$$$$
resveratrol.cdx
csChFnd80/06042015232D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6898    4.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0963    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4486    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    2.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239    4.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    4.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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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
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 14 16  1  0  0  0  0
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M  END
>  <Mol_ID> (36)
37

>  <Formula> (36)
C14H12O3

>  <MolWeight> (36)
228.24328

>  <Cat> (36)
S1396

>  <Name> (36)
Resveratrol

>  <Synonyms> (36)
N/A

>  <Target> (36)
Sirtuin

>  <Form> (36)
Free Base

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

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

$$$$
Droxinostat.cdx
csChFnd80/06042015232D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (37)
38

>  <Formula> (37)
C11H14ClNO3

>  <MolWeight> (37)
243.68676

>  <Cat> (37)
S1422

>  <Name> (37)
Droxinostat

>  <Synonyms> (37)
N/A

>  <Target> (37)
HDAC 

>  <Form> (37)
Free Base

>  <CAS> (37)
99873-43-5

>  <URL> (37)
http://www.selleckchem.com/products/Droxinostat.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (38)
39

>  <Formula> (38)
C31H31ClFN7O2

>  <MolWeight> (38)
588.0749432

>  <Cat> (38)
S1451

>  <Name> (38)
Aurora A Inhibitor I

>  <Synonyms> (38)
N/A

>  <Target> (38)
Aurora Kinase

>  <Form> (38)
Free Base

>  <CAS> (38)
1158838-45-9

>  <URL> (38)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (39)
40

>  <Formula> (39)
C28H35N7O2

>  <MolWeight> (39)
501.6232

>  <Cat> (39)
S1454

>  <Name> (39)
PHA-680632

>  <Synonyms> (39)
N/A

>  <Target> (39)
Aurora Kinase

>  <Form> (39)
Free Base

>  <CAS> (39)
398493-79-3

>  <URL> (39)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
sp600125.cdx
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>  <Mol_ID> (40)
41

>  <Formula> (40)
C14H8N2O

>  <MolWeight> (40)
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S1460

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SP600125

>  <Synonyms> (40)
N/A

>  <Target> (40)
JNK

>  <Form> (40)
Free Base

>  <CAS> (40)
129-56-6

>  <URL> (40)
http://www.selleckchem.com/products/SP600125.html

$$$$
FG-4592.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (41)
42

>  <Formula> (41)
C19H16N2O5

>  <MolWeight> (41)
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>  <Cat> (41)
S1007

>  <Name> (41)
Roxadustat (FG-4592)

>  <Synonyms> (41)
N/A 

>  <Target> (41)
HIF

>  <Form> (41)
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934162-61-5

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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <Mol_ID> (46)
47

>  <Formula> (46)
C13H13ClN2O

>  <MolWeight> (46)
248.70812

>  <Cat> (46)
S1541

>  <Name> (46)
EX 527

>  <Synonyms> (46)
SEN0014196

>  <Target> (46)
Sirtuin

>  <Form> (46)
Free Base

>  <CAS> (46)
49843-98-3

>  <URL> (46)
http://www.selleckchem.com/products/EX-527.html

$$$$
Fasudil HCl.cdx
csChFnd80/06042015232D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431    5.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480    2.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    1.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    1.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  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  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  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 12  1  0  0  0  0
M  END
>  <Mol_ID> (47)
48

>  <Formula> (47)
C14H18ClN3O2S

>  <MolWeight> (47)
327.82962

>  <Cat> (47)
S1573

>  <Name> (47)
Fasudil HCl (HA-1077)

>  <Synonyms> (47)
AT-877 

>  <Target> (47)
ROCK

>  <Form> (47)
Hydrochloride

>  <CAS> (47)
105628-07-7

>  <URL> (47)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$

csChFnd80/06042015232D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -13.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -11.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -13.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2829  -11.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5618  -11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4986  -10.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985   -9.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8861  -10.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4153  -12.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8024  -12.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6603  -11.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1311   -9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 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
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 17 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (48)
49

>  <Formula> (48)
C27H30Cl2F2N6O

>  <MolWeight> (48)
563.4695064

>  <Cat> (48)
S2686

>  <Name> (48)
NVP-BSK805 2HCl

>  <Synonyms> (48)
N/A

>  <Target> (48)
JAK

>  <Form> (48)
HCl

>  <CAS> (48)
1092499-93-8 (free base)

>  <URL> (48)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/06042015232D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (49)
50

>  <Formula> (49)
C16H31NaO4

>  <MolWeight> (49)
310.40471

>  <Cat> (49)
S1703

>  <Name> (49)
Divalproex sodium

>  <Synonyms> (49)
Depakote, Epival

>  <Target> (49)
HDAC

>  <Form> (49)
Sodium Salt

>  <CAS> (49)
76584-70-8

>  <URL> (49)
http://www.selleckchem.com/products/Divalproex-sodium.html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/06042015232D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (50)
51

>  <Formula> (50)
C5H5N5S

>  <MolWeight> (50)
167.1917

>  <Cat> (50)
S1774

>  <Name> (50)
Thioguanine

>  <Synonyms> (50)
6-Thioguanine

>  <Target> (50)
Others

>  <Form> (50)
Free Base

>  <CAS> (50)
154-42-7

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/06042015232D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (51)
52

>  <Formula> (51)
C8H12N4O5

>  <MolWeight> (51)
244.20468

>  <Cat> (51)
S1782

>  <Name> (51)
Azacitidine (Vidaza)

>  <Synonyms> (51)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (51)
DNA/RNA Synthesis

>  <Form> (51)
Free Base

>  <CAS> (51)
320-67-2

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

$$$$
VUMON (teniposide).cdx
csChFnd80/06042015232D

 47 54  0  0  0  0  0  0  0  0999 V2000
   10.6902    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4777    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6902    4.1903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <Formula> (52)
C32H32O13S

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S1787

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Teniposide (Vumon)

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Vumon, VM-26, Vehem, NSC 122819 

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Topoisomerase

>  <Form> (52)
Free Base

>  <CAS> (52)
29767-20-2

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

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Metformin hydrochloride.cdx
csChFnd80/06042015232D

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55

>  <Formula> (53)
C4H12ClN5

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165.62458

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S1950

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Metformin hydrochloride (Glucophage)

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Glucophage, Riomet, Diabex

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Others

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Hydrochloride

>  <CAS> (53)
1115-70-4

>  <URL> (53)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
PCI-34051.cdx
csChFnd80/06042015232D

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C17H16N2O3

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296.32054

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S2012

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PCI-34051

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N/A

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HDAC 

>  <Form> (54)
Free Base

>  <CAS> (54)
950762-95-5

>  <URL> (54)
http://www.selleckchem.com/products/pci-34051.html

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RG108.cdx
csChFnd80/06042015232D

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57

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C19H14N2O4

>  <MolWeight> (55)
334.32546

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RG108

>  <Synonyms> (55)
N/A 

>  <Target> (55)
Transferases

>  <Form> (55)
Free Base

>  <CAS> (55)
48208-26-0

>  <URL> (55)
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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Bufexamac.cdx
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HDAC 

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2438-72-4

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

$$$$
Sotrastaurin£¨AEB071£©.cdx
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425637-18-9

>  <URL> (59)
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410536-97-9

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

$$$$
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HDAC

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112522-64-2

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C15H10O7

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Quercetin (Sophoretin)

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Meletin, Quercetine

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PI3K, PKC, Src, Sirtuin

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>  <CAS> (63)
117-39-5

>  <URL> (63)
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68

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KW 2449

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N/A

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Flt, Bcr-Abl, Aurora Kinase

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Free Base

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1000669-72-6

>  <URL> (64)
http://www.selleckchem.com/products/KW-2449.html

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69

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N/A 

>  <Target> (65)
HDAC 

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Chloride

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732302-99-7

>  <URL> (65)
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DNA/RNA Synthesis

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>  <CAS> (66)
486-35-1

>  <URL> (66)
http://www.selleckchem.com/products/Daphnetin.html

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PARP

>  <Form> (67)
Free Base

>  <CAS> (67)
328543-09-5

>  <URL> (67)
http://www.selleckchem.com/products/AG14361.html

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N/A

>  <Target> (68)
JAK 

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Free Base

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1229236-86-5

>  <URL> (68)
http://www.selleckchem.com/products/LY2784544.html

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Pim

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1025065-69-3

>  <URL> (69)
http://www.selleckchem.com/products/SGI-1776.html

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 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 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
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 30  1  0  0  0  0
M  END
>  <Mol_ID> (70)
75

>  <Formula> (70)
C25H23F3N4O2

>  <MolWeight> (70)
468.4709296

>  <Cat> (70)
S2216

>  <Name> (70)
Mubritinib (TAK 165)

>  <Synonyms> (70)
TAK 165, TAK165

>  <Target> (70)
HER2

>  <Form> (70)
Free Base

>  <CAS> (70)
366017-09-6

>  <URL> (70)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/06042015232D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  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
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (71)
77

>  <Formula> (71)
C22H18O11

>  <MolWeight> (71)
458.37172

>  <Cat> (71)
S2250

>  <Name> (71)
(-)-Epigallocatechin gallate

>  <Synonyms> (71)
EGCG

>  <Target> (71)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (71)
Free Base

>  <CAS> (71)
989-51-5

>  <URL> (71)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Chlorogenic acid.cdx
csChFnd80/06042015232D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (72)
78

>  <Formula> (72)
C16H18O9

>  <MolWeight> (72)
354.30872

>  <Cat> (72)
S2280

>  <Name> (72)
Chlorogenic acid

>  <Synonyms> (72)
N/A

>  <Target> (72)
Others

>  <Form> (72)
Free Base

>  <CAS> (72)
327-97-9

>  <URL> (72)
http://www.selleckchem.com/products/Chlorogenic-acid.html

$$$$
Fisetin.cdx
csChFnd80/06042015232D

 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
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    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
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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
 17 18  1  0  0  0  0
 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> (73)
79

>  <Formula> (73)
C15H10O6

>  <MolWeight> (73)
286.2363

>  <Cat> (73)
S2298

>  <Name> (73)
Fisetin (Fustel)

>  <Synonyms> (73)
Fustel, Viset

>  <Target> (73)
Sirtuin

>  <Form> (73)
Free Base

>  <CAS> (73)
528-48-3

>  <URL> (73)
http://www.selleckchem.com/products/Fisetin(Fustel).html

$$$$
Myricitrin.cdx
csChFnd80/06042015232D

 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
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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> (74)
80

>  <Formula> (74)
C21H20O12

>  <MolWeight> (74)
464.3763

>  <Cat> (74)
S2327

>  <Name> (74)
Myricitrin (Myricitrine)

>  <Synonyms> (74)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (74)
PKC

>  <Form> (74)
Free Base

>  <CAS> (74)
17912-87-7

>  <URL> (74)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Parthenolide.cdx
csChFnd80/06042015232D

 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
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>  <Mol_ID> (75)
81

>  <Formula> (75)
C15H20O3

>  <MolWeight> (75)
248.3175

>  <Cat> (75)
S2341

>  <Name> (75)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (75)
N/A 

>  <Target> (75)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (75)
Free Base

>  <CAS> (75)
20554-84-1

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

$$$$
Curcumol.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (76)
82

>  <Formula> (76)
C15H24O2

>  <MolWeight> (76)
236.34986

>  <Cat> (76)
S2407

>  <Name> (76)
Curcumol

>  <Synonyms> (76)
N/A

>  <Target> (76)
JAK

>  <Form> (76)
Free Base

>  <CAS> (76)
4871-97-0

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

$$$$
TAK-901.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (77)
83

>  <Formula> (77)
C28H32N4O3S

>  <MolWeight> (77)
504.64368

>  <Cat> (77)
S2718

>  <Name> (77)
TAK-901

>  <Synonyms> (77)
N/A

>  <Target> (77)
Aurora Kinase

>  <Form> (77)
Free Base

>  <CAS> (77)
934541-31-8

>  <URL> (77)
http://www.selleckchem.com/products/tak-901.html

$$$$
TG1012009.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (78)
84

>  <Formula> (78)
C26H35N7O2S

>  <MolWeight> (78)
509.6668

>  <Cat> (78)
S2692

>  <Name> (78)
TG101209

>  <Synonyms> (78)
N/A

>  <Target> (78)
Flt, JAK, c-RET

>  <Form> (78)
Free Base

>  <CAS> (78)
936091-14-4

>  <URL> (78)
http://www.selleckchem.com/products/tg101209.html

$$$$
AMG900.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (79)
85

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C28H21N7OS

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N/A

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Aurora Kinase

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Free Base

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945595-80-2

>  <URL> (79)
http://www.selleckchem.com/products/amg-900.html

$$$$

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86

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C22H30Cl2N4O6

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S2485

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Mitoxantrone 2HCl

>  <Synonyms> (80)
NSC-301739

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Topoisomerase

>  <Form> (80)
Dihydrochloride

>  <CAS> (80)
70476-82-3

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

$$$$
Phenformin hydrochloride.cdx
csChFnd80/06042015232D

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N/A

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AMPK

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Hydrochloride 

>  <CAS> (81)
834-28-6

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

$$$$
937174-76-0.cdx
csChFnd80/06042015232D

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89

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C21H27N7O3

>  <MolWeight> (82)
425.48418

>  <Cat> (82)
S1113

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GSK690693

>  <Synonyms> (82)
N/A

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Akt

>  <Form> (82)
Free Base

>  <CAS> (82)
937174-76-0

>  <URL> (82)
http://www.selleckchem.com/products/GSK690693.html

$$$$
Curcumin.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (83)
90

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Curcumin

>  <Synonyms> (83)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (83)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (83)
Free Base

>  <CAS> (83)
458-37-7

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

$$$$
GSK1070916.cdx
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N/A 

>  <Target> (84)
Aurora Kinase

>  <Form> (84)
Free Base

>  <CAS> (84)
942918-07-2

>  <URL> (84)
http://www.selleckchem.com/products/gsk1070916.html

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TG101348.cdx
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Fedratinib (SAR302503, TG101348)

>  <Synonyms> (85)
N/A

>  <Target> (85)
JAK 

>  <Form> (85)
Free Base

>  <CAS> (85)
936091-26-8

>  <URL> (85)
http://www.selleckchem.com/products/tg-101348.html

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Coreg, Dilatrend

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Adrenergic Receptor

>  <Form> (86)
Free Base

>  <CAS> (86)
72956-09-3

>  <URL> (86)
http://www.selleckchem.com/products/carvedilol.html

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>  <Mol_ID> (87)
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>  <Formula> (87)
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>  <Cat> (87)
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>  <Name> (87)
MK-5108 (VX-689)

>  <Synonyms> (87)
N/A 

>  <Target> (87)
Aurora Kinase

>  <Form> (87)
Free Base

>  <CAS> (87)
1010085-13-8

>  <URL> (87)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
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csChFnd80/06042015232D

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>  <Mol_ID> (88)
96

>  <Formula> (88)
C20H22ClN3O2

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>  <Cat> (88)
S2627

>  <Name> (88)
Tubastatin A hydrochloride

>  <Synonyms> (88)
N/A

>  <Target> (88)
HDAC

>  <Form> (88)
Hydrochloride

>  <CAS> (88)
1310693-92-5

>  <URL> (88)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
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csChFnd80/06042015232D

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>  <Mol_ID> (89)
98

>  <Formula> (89)
C16H14BrN3O3

>  <MolWeight> (89)
376.20466

>  <Cat> (89)
S2867

>  <Name> (89)
WHI-P154

>  <Synonyms> (89)
N/A

>  <Target> (89)
JAK, EGFR

>  <Form> (89)
Free Base

>  <CAS> (89)
211555-04-3

>  <URL> (89)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Go 6983.cdx
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>  <Mol_ID> (90)
100

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C26H26N4O3

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Go 6983

>  <Synonyms> (90)
N/A

>  <Target> (90)
PKC

>  <Form> (90)
Free Base

>  <CAS> (90)
133053-19-7

>  <URL> (90)
http://www.selleckchem.com/products/go-6983.html

$$$$
IOX2.cdx
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>  <Formula> (91)
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>  <Target> (91)
HIF

>  <Form> (91)
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>  <CAS> (91)
931398-72-0

>  <URL> (91)
http://www.selleckchem.com/products/iox2.html

$$$$
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>  <Mol_ID> (92)
102

>  <Formula> (92)
C10H13FN2O5

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S3001

>  <Name> (92)
Clevudine (Levovir)

>  <Synonyms> (92)
N/A

>  <Target> (92)
Others

>  <Form> (92)
Free Base

>  <CAS> (92)
163252-36-6

>  <URL> (92)
http://www.selleckchem.com/products/clevudine-levovir.html

$$$$
aicar.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (93)
103

>  <Formula> (93)
C9H14N4O5

>  <MolWeight> (93)
258.23126

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S1802

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AICAR (Acadesine)

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AICAR, AICA-riboside

>  <Target> (93)
AMPK

>  <Form> (93)
Free Base

>  <CAS> (93)
2627-69-2

>  <URL> (93)
http://www.selleckchem.com/products/Acadesine.html

$$$$
PF-06405761.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (94)
104

>  <Formula> (94)
C16H17N3O4S

>  <MolWeight> (94)
347.38888

>  <Cat> (94)
S1216

>  <Name> (94)
PFI-1(PF-6405761) 

>  <Synonyms> (94)
PF-06405761

>  <Target> (94)
Epigenetic Reader Domain

>  <Form> (94)
Free Base

>  <CAS> (94)
1403764-72-6

>  <URL> (94)
http://www.selleckchem.com/products/pfl-1.html

$$$$
SC-514.cdx
csChFnd80/06042015232D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (95)
105

>  <Formula> (95)
C9H8N2OS2

>  <MolWeight> (95)
224.30262

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S4907

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SC-514 

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N/A

>  <Target> (95)
I¦ÊB/IKK

>  <Form> (95)
Free Base

>  <CAS> (95)
354812-17-2

>  <URL> (95)
http://www.selleckchem.com/products/sc-514.html

$$$$
Pirarubicin.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (96)
106

>  <Formula> (96)
C32H37NO12

>  <MolWeight> (96)
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>  <Cat> (96)
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>  <Name> (96)
Pirarubicin

>  <Synonyms> (96)
N/A

>  <Target> (96)
Topoisomerase

>  <Form> (96)
Free Base

>  <CAS> (96)
72496-41-4

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

$$$$
sodium phenylbutyrate.cdx
csChFnd80/06042015232D

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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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  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> (97)
107

>  <Formula> (97)
C10H11NaO2

>  <MolWeight> (97)
186.18291

>  <Cat> (97)
S4125

>  <Name> (97)
Sodium Phenylbutyrate

>  <Synonyms> (97)
N/A

>  <Target> (97)
HDAC

>  <Form> (97)
Sodium Salt

>  <CAS> (97)
1716-12-7

>  <URL> (97)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/06042015232D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (98)
108

>  <Formula> (98)
C16H19N3O4S

>  <MolWeight> (98)
349.40476

>  <Cat> (98)
S2693

>  <Name> (98)
Resminostat (RAS2410)

>  <Synonyms> (98)
4SC-201, BYK408740

>  <Target> (98)
HDAC

>  <Form> (98)
Free Base

>  <CAS> (98)
864814-88-0

>  <URL> (98)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
S4246.cdx
csChFnd80/06042015232D

 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
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    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
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  8  9  1  0  0  0  0
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  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (99)
109

>  <Formula> (99)
C9H12ClNR

>  <MolWeight> (99)
169.65128

>  <Cat> (99)
S4246

>  <Name> (99)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (99)
N/A

>  <Target> (99)
MAO

>  <Form> (99)
Hydrochloride

>  <CAS> (99)
4548-34-9

>  <URL> (99)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Flufenamic acid.cdx
csChFnd80/06042015232D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 O   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 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
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    9.1870    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
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 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (100)
110

>  <Formula> (100)
C14H10F3NO2

>  <MolWeight> (100)
281.2299096

>  <Cat> (100)
S4268

>  <Name> (100)
Flufenamic acid

>  <Synonyms> (100)
N/A

>  <Target> (100)
COX

>  <Form> (100)
Free Base

>  <CAS> (100)
530-78-9

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

$$$$
Tenovin-6 HCl.cdx
csChFnd80/06042015232D

 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
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    3.6415    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3537    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
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  5 29  1  0  0  0  0
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 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (101)
111

>  <Formula> (101)
C25H35ClN4O2S

>  <MolWeight> (101)
491.089

>  <Cat> (101)
S4900

>  <Name> (101)
Tenovin-6

>  <Synonyms> (101)
N/A

>  <Target> (101)
p53,Sirtuin

>  <Form> (101)
Free Base

>  <CAS> (101)
1011557-82-6

>  <URL> (101)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/06042015232D

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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M  END
>  <Mol_ID> (102)
112

>  <Formula> (102)
C13H22ClN3O

>  <MolWeight> (102)
271.78628

>  <Cat> (102)
S4294

>  <Name> (102)
Procainamide HCl

>  <Synonyms> (102)
N/A

>  <Target> (102)
Sodium Channel

>  <Form> (102)
Hydrochloride

>  <CAS> (102)
614-39-1

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

$$$$
Daptomycin.cdx
csChFnd80/06042015232D

115118  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (103)
113

>  <Formula> (103)
C72H101N17O26

>  <MolWeight> (103)
1620.67064

>  <Cat> (103)
S1373

>  <Name> (103)
Daptomycin

>  <Synonyms> (103)
LY146032

>  <Target> (103)
Others

>  <Form> (103)
Free Base

>  <CAS> (103)
103060-53-3

>  <URL> (103)
http://www.selleckchem.com/products/Daptomycin.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/06042015232D

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  4 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  6  0  0  0
 29 33  1  0  0  0  0
 29 34  2  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  1  6  0  0  0
M  END
>  <Mol_ID> (104)
115

>  <Formula> (104)
C25H31N7O6

>  <MolWeight> (104)
525.55694

>  <Cat> (104)
S2018

>  <Name> (104)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (104)
N/A

>  <Target> (104)
FLT3

>  <Form> (104)
Free Base

>  <CAS> (104)
1291074-87-7

>  <URL> (104)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/06042015232D

 31 32  0  0  0  0  0  0  0  0999 V2000
    8.4322    8.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    7.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8046    5.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1468    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7845    7.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1752    4.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3942    5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6416    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0665    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.3411    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1287    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.5535    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5535    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7660    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9784    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   23.4830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.4830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 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 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (105)
116

>  <Formula> (105)
C21H28Cl2N6O2

>  <MolWeight> (105)
467.39202

>  <Cat> (105)
S1096

>  <Name> (105)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (105)
N/A

>  <Target> (105)
HDAC

>  <Form> (105)
Dihydrochloride

>  <CAS> (105)
875320-31-3

>  <URL> (105)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$
Danthron.cdx
csChFnd80/06042015232D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (106)
117

>  <Formula> (106)
C14H8O4

>  <MolWeight> (106)
240.21092

>  <Cat> (106)
S4561

>  <Name> (106)
Danthron

>  <Synonyms> (106)
chrysazin, Antrapurol

>  <Target> (106)
Others

>  <Form> (106)
Free Base

>  <CAS> (106)
117-10-2

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

$$$$
Pantoprazole sodium.cdx
csChFnd80/06042015232D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.1061    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061    1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    3.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    1.3806    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.9055    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2406    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6358    2.5289    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4788    3.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    3.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7384    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9565    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    1.8346    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4390    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4390    0.1279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5673    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1700    3.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (107)
118

>  <Formula> (107)
C16H14F2N3NaO4S

>  <MolWeight> (107)
405.3516364

>  <Cat> (107)
S4538

>  <Name> (107)
Pantoprazole sodium

>  <Synonyms> (107)
SKF96022 sodium, BY-1023 sodium

>  <Target> (107)
Proton Pump

>  <Form> (107)
Free Base

>  <CAS> (107)
138786-67-1

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

$$$$

csChFnd80/06042015232D

 29 27  0  0  0  0  0  0  0  0999 V2000
   11.8884    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8884    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    4.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4462    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5326    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130    6.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2322    0.0080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5356    6.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9605    4.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    6.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9605    2.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9602    6.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1676    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7516    2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1676    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7516    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7708    9.5412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3708    9.5412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (108)
119

>  <Formula> (108)
C20H28Cl3N3O3

>  <MolWeight> (108)
464.81362

>  <Cat> (108)
S4589

>  <Name> (108)
Amodiaquin (dihydrochloride dihydrate)

>  <Synonyms> (108)
N/A

>  <Target> (108)
Transferase,Histone

>  <Form> (108)
dihydrochloride dihydrate

>  <CAS> (108)
6398-98-7

>  <URL> (108)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/06042015232D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.9188    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1883    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5442    5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (109)
120

>  <Formula> (109)
C21H22ClNR

>  <MolWeight> (109)
323.85908

>  <Cat> (109)
S4635

>  <Name> (109)
Cyproheptadine hydrochloride

>  <Synonyms> (109)
Periactin hydrochloride, Peritol

>  <Target> (109)
5-HT Receptor

>  <Form> (109)
Hydrochloride Sesquihydrate

>  <CAS> (109)
41354-29-4

>  <URL> (109)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

$$$$
S4609 Diflunisal.cdx
csChFnd80/06042015232D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    6.0622    2.8000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 F   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
    7.2746    2.1000    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
    1.2124    4.2000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
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 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (110)
121

>  <Formula> (110)
C13H8F2O3

>  <MolWeight> (110)
250.1976264

>  <Cat> (110)
S4609

>  <Name> (110)
Diflunisal

>  <Synonyms> (110)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (110)
COX

>  <Form> (110)
Free Base

>  <CAS> (110)
22494-42-4

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

$$$$
S4715 Benzamide.cdx
csChFnd80/06042015232D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.6999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (111)
122

>  <Formula> (111)
C7H7NO

>  <MolWeight> (111)
121.13658

>  <Cat> (111)
S4715

>  <Name> (111)
Benzamide

>  <Synonyms> (111)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (111)
Others

>  <Form> (111)
Free Base

>  <CAS> (111)
55-21-0

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/06042015232D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (112)
123

>  <Formula> (112)
C6H6N2O

>  <MolWeight> (112)
122.12464

>  <Cat> (112)
S4710

>  <Name> (112)
Picolinamide

>  <Synonyms> (112)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (112)
PARP

>  <Form> (112)
Free Base

>  <CAS> (112)
1452-77-3

>  <URL> (112)
http://www.selleckchem.com/products/picolinamide.html

$$$$
MK4827.cdx
csChFnd80/06042015232D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (113)
124

>  <Formula> (113)
C19H20N4O

>  <MolWeight> (113)
320.3883

>  <Cat> (113)
S2741

>  <Name> (113)
MK-4827(Niraparib)

>  <Synonyms> (113)
N/A

>  <Target> (113)
PARP

>  <Form> (113)
Free Base

>  <CAS> (113)
1038915-60-4

>  <URL> (113)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/06042015232D

 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
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   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
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   14.5127    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7406    6.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6894    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 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> (114)
125

>  <Formula> (114)
C36H30O16

>  <MolWeight> (114)
718.6138

>  <Cat> (114)
S4735

>  <Name> (114)
Salvianolic acid B

>  <Synonyms> (114)
Lithospermate B

>  <Target> (114)
Others

>  <Form> (114)
Free Base

>  <CAS> (114)
121521-90-2

>  <URL> (114)
http://www.selleckchem.com/products/salvianolic-acid-b.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/06042015232D

 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> (115)
126

>  <Formula> (115)
C11H8O3

>  <MolWeight> (115)
188.17942

>  <Cat> (115)
S3661

>  <Name> (115)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (115)
N/A

>  <Target> (115)
PKC

>  <Form> (115)
free base

>  <CAS> (115)
2348-82-5

>  <URL> (115)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/06042015232D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4290    3.5017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4035    2.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6220    4.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    1.3999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1910    1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    3.4870    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    2.0754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6127    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0392    4.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0358    1.3754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7747    2.2587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (116)
127

>  <Formula> (116)
C6H14ClNO5

>  <MolWeight> (116)
215.63206

>  <Cat> (116)
S3694

>  <Name> (116)
Glucosamine hydrochloride

>  <Synonyms> (116)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (116)
Others

>  <Form> (116)
hydrochloride

>  <CAS> (116)
66-84-2

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

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/06042015232D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2131    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    4.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    0.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    4.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487    4.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (117)
128

>  <Formula> (117)
C11H12O5

>  <MolWeight> (117)
224.20998

>  <Cat> (117)
S3981

>  <Name> (117)
Sinapinic Acid

>  <Synonyms> (117)
Sinapic acid

>  <Target> (117)
Others

>  <Form> (117)
free base

>  <CAS> (117)
530-59-6

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

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/06042015232D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (118)
129

>  <Formula> (118)
C19H20O5

>  <MolWeight> (118)
328.3591

>  <Cat> (118)
S3819

>  <Name> (118)
Decursinol angelate

>  <Synonyms> (118)
N/A

>  <Target> (118)
PKC

>  <Form> (118)
free base

>  <CAS> (118)
130848-06-5

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/06042015232D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (119)
130

>  <Formula> (119)
C17H26O4

>  <MolWeight> (119)
294.38594

>  <Cat> (119)
S3836

>  <Name> (119)
6-Gingerol

>  <Synonyms> (119)
CI-1011

>  <Target> (119)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (119)
free base

>  <CAS> (119)
23513-14-6

>  <URL> (119)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/06042015232D

 47 52  0  0  0  0  0  0  0  0999 V2000
   14.5413    4.9362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3308    4.2329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7557    4.2394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3271    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5376    6.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    2.8328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1165    4.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9662    4.9427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7595    2.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7481    7.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239    2.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9058    4.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9624    6.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2988    4.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1163    3.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9096    2.8262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0267    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2926    6.7788    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1050    7.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1187    5.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7217    8.1114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.0903    8.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7821    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    4.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5193    9.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8880   10.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3170   11.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (120)
131

>  <Formula> (120)
C40H58O4

>  <MolWeight> (120)
602.88612

>  <Cat> (120)
S3957

>  <Name> (120)
Gamma-Oryzanol

>  <Synonyms> (120)
N/A

>  <Target> (120)
Others

>  <Form> (120)
free base

>  <CAS> (120)
11042-64-1

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

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (121)
132

>  <Formula> (121)
C24H26O6

>  <MolWeight> (121)
410.45964

>  <Cat> (121)
S3804

>  <Name> (121)
Alpha-Mangostin

>  <Synonyms> (121)
N/A

>  <Target> (121)
Others

>  <Form> (121)
free base

>  <CAS> (121)
1551491

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

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (122)
133

>  <Formula> (122)
C20H24O11

>  <MolWeight> (122)
440.39796

>  <Cat> (122)
S3781

>  <Name> (122)
Ginkgolide C

>  <Synonyms> (122)
BN-52022

>  <Target> (122)
Others

>  <Form> (122)
free base

>  <CAS> (122)
15291-76-6

>  <URL> (122)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (123)
134

>  <Formula> (123)
C18H18N2O4

>  <MolWeight> (123)
326.34652

>  <Cat> (123)
S8043

>  <Name> (123)
Scriptaid 

>  <Synonyms> (123)
Scriptide, GCK 1026

>  <Target> (123)
HDAC

>  <Form> (123)
Free Base

>  <CAS> (123)
287383-59-9

>  <URL> (123)
https://www.selleckchem.com/products/scriptaid.html

$$$$
PP2.cdx
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 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (124)
135

>  <Formula> (124)
C15H16ClN5

>  <MolWeight> (124)
301.77404

>  <Cat> (124)
S7008

>  <Name> (124)
PP2

>  <Synonyms> (124)
AG 1879

>  <Target> (124)
Src

>  <Form> (124)
Free Base

>  <CAS> (124)
172889-27-9

>  <URL> (124)
https://www.selleckchem.com/products/pp2.html

$$$$
EPZ004777.cdx
csChFnd80/06042015232D

 39 42  0  0  0  0  0  0  0  0999 V2000
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   18.3211   10.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9861   10.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7574    9.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7459   10.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5277   11.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 25 29  1  6  0  0  0
 24 30  1  6  0  0  0
 23 19  1  1  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
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 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (125)
136

>  <Formula> (125)
C28H41N7O4

>  <MolWeight> (125)
539.66964

>  <Cat> (125)
S7353

>  <Name> (125)
EPZ004777

>  <Synonyms> (125)
N/A

>  <Target> (125)
Histone Methyltransferase

>  <Form> (125)
Free Base

>  <CAS> (125)
1338466-77-5

>  <URL> (125)
https://www.selleckchem.com/products/epz004777.html

$$$$
AGI5198.cdx
csChFnd80/06042015232D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 29  1  0  0  0  0
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 31 32  1  0  0  0  0
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 33 29  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (126)
137

>  <Formula> (126)
C27H31FN4O2

>  <MolWeight> (126)
462.5590432

>  <Cat> (126)
S7185

>  <Name> (126)
AGI-5198

>  <Synonyms> (126)
IDH-C35

>  <Target> (126)
Dehydrogenase

>  <Form> (126)
Free Base

>  <CAS> (126)
1355326-35-0

>  <URL> (126)
http://www.selleckchem.com/products/agi-5198.html

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/06042015232D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2868    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2092    2.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1172    4.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4255    6.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1280    6.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    4.0681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6574    4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
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M  END
>  <Mol_ID> (127)
138

>  <Formula> (127)
C20H16N2O5

>  <MolWeight> (127)
364.35144

>  <Cat> (127)
S3898

>  <Name> (127)
Hydroxy Camptothecine

>  <Synonyms> (127)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (127)
DNA topoisomerase I

>  <Form> (127)
free base

>  <CAS> (127)
64439-81-2

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

$$$$
S4800 Daminozide.cdx
csChFnd80/06042015232D

 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
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    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (128)
139

>  <Formula> (128)
C6H12N2O3

>  <MolWeight> (128)
160.17108

>  <Cat> (128)
S4800

>  <Name> (128)
Daminozide

>  <Synonyms> (128)
Aminozide, Succinic Acid

>  <Target> (128)
PHF8,KDM2A 

>  <Form> (128)
free base

>  <CAS> (128)
1596-84-5

>  <URL> (128)
http://www.selleckchem.com/products/daminozide.html

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/06042015232D

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    3.1472    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    4.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    5.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491    6.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (129)
140

>  <Formula> (129)
C10H12O2

>  <MolWeight> (129)
164.20108

>  <Cat> (129)
S4771

>  <Name> (129)
¦Â-thujaplicin

>  <Synonyms> (129)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (129)
Others

>  <Form> (129)
free base

>  <CAS> (129)
499-44-5

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

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/06042015232D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3209    3.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298    0.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9029    9.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    7.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5 41  1  6  0  0  0
 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  1  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (130)
141

>  <Formula> (130)
C32H40O8

>  <MolWeight> (130)
552.6552

>  <Cat> (130)
S3832

>  <Name> (130)
Euphorbiasteroid

>  <Synonyms> (130)
Euphorbia factor L1

>  <Target> (130)
Others

>  <Form> (130)
free base

>  <CAS> (130)
28649-59-4

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

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/06042015232D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756    2.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9077    1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3785    4.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8344    3.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2069    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946    2.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1323    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6308    3.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5048    3.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4302    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164    4.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8027    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9831    5.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    4.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7281    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9085    6.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9465   11.0407    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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (131)
142

>  <Formula> (131)
C25H36Cl2N2O3

>  <MolWeight> (131)
483.47094

>  <Cat> (131)
S5020

>  <Name> (131)
Tilorone dihydrochloride

>  <Synonyms> (131)
N/A

>  <Target> (131)
Anti-infection

>  <Form> (131)
dihydrochloride 

>  <CAS> (131)
27591-69-1

>  <URL> (131)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
Sodium valproate.cdx
csChFnd80/06042015232D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (132)
143

>  <Formula> (132)
C8H15NaO2

>  <MolWeight> (132)
166.19327

>  <Cat> (132)
S1168

>  <Name> (132)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (132)
N/A 

>  <Target> (132)
GABA Receptor, HDAC

>  <CAS> (132)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
SNS-314 Mesylate.cdx
csChFnd80/06042015232D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    7.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2309    7.5316    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    8.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4677    9.7845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    8.4262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1226    7.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5101    7.0058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    8.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    7.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934    9.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536   10.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650   10.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162    9.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    8.8724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7283    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5283    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (133)
144

>  <Formula> (133)
C19H19ClN6O4S3

>  <MolWeight> (133)
527.03996

>  <Cat> (133)
S1154

>  <Name> (133)
SNS-314 Mesylate

>  <Synonyms> (133)
N/A

>  <Target> (133)
Aurora Kinase

>  <Form> (133)
Mesylate

>  <CAS> (133)
1146618-41-8

>  <URL> (133)
http://www.selleckchem.com/products/SNS-314.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/06042015232D

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 10 24  1  6  0  0  0
M  END
>  <Mol_ID> (138)
149

>  <Formula> (138)
C23H25ClN4O2S

>  <MolWeight> (138)
456.9882

>  <Cat> (138)
S7110

>  <Name> (138)
(+)-JQ1

>  <Synonyms> (138)
N/A

>  <Target> (138)
BET

>  <Form> (138)
Free Base

>  <CAS> (138)
1268524-70-4

>  <URL> (138)
http://www.selleckchem.com/products/jq1.html

$$$$
GSK J4 HCL.cdx
csChFnd80/06042015232D

 32 34  0  0  0  0  0  0  0  0999 V2000
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    0.7031    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3365    3.1160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 11  3  1  0  0  0  0
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 17 12  1  0  0  0  0
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 23 18  1  0  0  0  0
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 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (139)
150

>  <Formula> (139)
C24H28ClN5O2

>  <MolWeight> (139)
453.96442

>  <Cat> (139)
S7070

>  <Name> (139)
GSK J4 HCl

>  <Synonyms> (139)
N/A

>  <Target> (139)
Histone Demethylase

>  <Form> (139)
Hydrochloride

>  <CAS> (139)
1373423-53-0(free base)

>  <URL> (139)
http://www.selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
csChFnd80/06042015232D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3523    2.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    2.1729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5647    2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3085    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.3523    3.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5647    5.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    3.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  1  0  0  0
  1  4  1  1  0  0  0
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  2  6  1  0  0  0  0
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  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
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  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (140)
151

>  <Formula> (140)
C9H12N2O5

>  <MolWeight> (140)
228.20198

>  <Cat> (140)
S7113

>  <Name> (140)
Zebularine

>  <Synonyms> (140)
N/A

>  <Target> (140)
DNA Methyltransferase

>  <Form> (140)
Free Base

>  <CAS> (140)
654065

>  <URL> (140)
https://www.selleckchem.com/products/zebularine.html

$$$$
AZD 2461.cdx
csChFnd80/06042015232D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (141)
152

>  <Formula> (141)
C22H22FN3O3

>  <MolWeight> (141)
395.4267832

>  <Cat> (141)
S7029

>  <Name> (141)
AZD2461

>  <Synonyms> (141)
N/A

>  <Target> (141)
PARP

>  <Form> (141)
Free Base

>  <CAS> (141)
1174043-16-3

>  <URL> (141)
https://www.selleckchem.com/products/azd2461.html

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/06042015232D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.6413    5.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8533    5.7651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0661    5.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0670    3.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4301    2.9636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.9154    1.2793    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  8  9  1  0  0  0  0
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 12 13  1  1  0  0  0
  9  6  1  1  0  0  0
 11 15  1  6  0  0  0
M  END
>  <Mol_ID> (142)
153

>  <Formula> (142)
C9H12ClF2N3O4

>  <MolWeight> (142)
299.6590864

>  <Cat> (142)
S1149

>  <Name> (142)
Gemcitabine HCl (Gemzar)

>  <Synonyms> (142)
Gemzar

>  <Target> (142)
DNA/RNA Synthesis

>  <Form> (142)
Hydrochloride

>  <CAS> (142)
122111-03-9

>  <URL> (142)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

$$$$
Carboplatin.cdx
csChFnd80/06042015232D

 13 10  0  0  0  0  0  0  0  0999 V2000
    3.2875    2.4207    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
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    3.3617    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (143)
154

>  <Formula> (143)
C6H12N2O4Pt

>  <MolWeight> (143)
371.24848

>  <Cat> (143)
S1215

>  <Name> (143)
Carboplatin

>  <Synonyms> (143)
Paraplatin

>  <Target> (143)
DNA/RNA Synthesis

>  <Form> (143)
Free Base

>  <CAS> (143)
41575-94-4

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

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/06042015232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (144)
155

>  <Formula> (144)
C16H18FN3O3

>  <MolWeight> (144)
319.3308232

>  <Cat> (144)
S1509

>  <Name> (144)
Norfloxacin (Norxacin)

>  <Synonyms> (144)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (144)
Others

>  <Form> (144)
Free Base

>  <CAS> (144)
70458-96-7

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

$$$$
CCT129202.cdx
csChFnd80/06042015232D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
M  END
>  <Mol_ID> (145)
156

>  <Formula> (145)
C23H25ClN8OS

>  <MolWeight> (145)
497.0156

>  <Cat> (145)
S1519

>  <Name> (145)
CCT129202

>  <Synonyms> (145)
N/A

>  <Target> (145)
Aurora Kinase

>  <Form> (145)
Free Base

>  <CAS> (145)
942947-93-5

>  <URL> (145)
http://www.selleckchem.com/products/CCT129202.html

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/06042015232D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2769    1.5656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    1.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9  2  1  1  0  0  0
 11 14  1  1  0  0  0
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 12 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (146)
157

>  <Formula> (146)
C9H13N3O5

>  <MolWeight> (146)
243.21662

>  <Cat> (146)
S1648

>  <Name> (146)
Cytarabine

>  <Synonyms> (146)
N/A 

>  <Target> (146)
Others

>  <Form> (146)
Free Base

>  <CAS> (146)
147-94-4

>  <URL> (146)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

$$$$
Sodium butyrate.cdx
csChFnd80/06042015232D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (147)
158

>  <Formula> (147)
C4H7NaO2

>  <MolWeight> (147)
110.08695

>  <Cat> (147)
S1999

>  <Name> (147)
Sodium butyrate

>  <Synonyms> (147)
Butyric acid sodium salt

>  <Target> (147)
HDAC

>  <Form> (147)
Sodium Salt

>  <CAS> (147)
156-54-7

>  <URL> (147)
http://www.selleckchem.com/products/Sodium-butyrate.html

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/06042015232D

 13 13  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
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    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.1000    0.0000 N   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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  5  6  2  0  0  0  0
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  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (148)
159

>  <Formula> (148)
C8H9ClN4

>  <MolWeight> (148)
196.63686

>  <Cat> (148)
S2562

>  <Name> (148)
Hydralazine hydrochloride

>  <Synonyms> (148)
Apresoline

>  <Target> (148)
Others

>  <Form> (148)
Hydrochloride

>  <CAS> (148)
304-20-1

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

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/06042015232D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    4.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 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
M  END
>  <Mol_ID> (149)
160

>  <Formula> (149)
C12H20ClN3O

>  <MolWeight> (149)
257.7597

>  <Cat> (149)
S1995

>  <Name> (149)
Procarbazine hydrochloride (Matulane)

>  <Synonyms> (149)
N/A 

>  <Target> (149)
DNA/RNA

>  <Form> (149)
Hydrochloride

>  <CAS> (149)
366-70-1

>  <URL> (149)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

$$$$
CCT137690.cdx
csChFnd80/06042015232D

 36 41  0  0  0  0  0  0  0  0999 V2000
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    3.4240    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0033    2.7976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1859    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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CCT137690

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N/A

>  <Target> (150)
Aurora Kinase

>  <Form> (150)
Free Base

>  <CAS> (150)
1095382-05-0

>  <URL> (150)
http://www.selleckchem.com/products/cct137690.html

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CPI-169.cdx
csChFnd80/06042015232D

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162

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CPI-169

>  <Synonyms> (151)
N/A

>  <Target> (151)
Histone Methyltransferase

>  <Form> (151)
Free Base

>  <CAS> (151)
1450655-76-1

>  <URL> (151)
http://www.selleckchem.com/products/cpi-169.html

$$$$
BI-847325.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (152)
163

>  <Formula> (152)
C29H28N4O2

>  <MolWeight> (152)
464.55822

>  <Cat> (152)
S7843

>  <Name> (152)
BI-847325

>  <Synonyms> (152)
N/A

>  <Target> (152)
MEK

>  <Form> (152)
Free Base

>  <CAS> (152)
1207293-36-4

>  <URL> (152)
http://www.selleckchem.com/products/bi-847325.html

$$$$
AMI-1.cdx
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164

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Histone Methyltransferase

>  <Form> (153)
disodium salt

>  <CAS> (153)
20324-87-2

>  <URL> (153)
http://www.selleckchem.com/products/ami-1.html

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Histone Methyltransferase

>  <Form> (154)
Free Base

>  <CAS> (154)
1346572-63-1

>  <URL> (154)
http://www.selleckchem.com/products/gsk503.html

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Nrf2

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64224-21-1

>  <URL> (155)
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JAK

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1226895-15-3

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http://www.selleckchem.com/products/flll32.html

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>  <URL> (157)
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M  END
>  <Mol_ID> (158)
170

>  <Formula> (158)
C20H21NO4S

>  <MolWeight> (158)
371.45004

>  <Cat> (158)
S7231

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GSK2801

>  <Synonyms> (158)
N/A

>  <Target> (158)
Epigenetic Reader Domain

>  <Form> (158)
Free Base

>  <CAS> (158)
1619994-68-1

>  <URL> (158)
http://www.selleckchem.com/products/gsk2801.html

$$$$
SirReal2.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (159)
171

>  <Formula> (159)
C22H20N4OS2

>  <MolWeight> (159)
420.5504

>  <Cat> (159)
S7845

>  <Name> (159)
SirReal2

>  <Synonyms> (159)
N/A

>  <Target> (159)
Sirtuin

>  <Form> (159)
Free Base

>  <CAS> (159)
709002-46-0

>  <URL> (159)
http://www.selleck.cn/products/sirreal2.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/06042015232D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
172

>  <Formula> (160)
C8H16O2

>  <MolWeight> (160)
144.21144

>  <Cat> (160)
S3944

>  <Name> (160)
Valproic acid

>  <Synonyms> (160)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (160)
HDAC1

>  <Form> (160)
free base

>  <CAS> (160)
99-66-1

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

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (161)
173

>  <Formula> (161)
C54H83NaO23

>  <MolWeight> (161)
1123.21279

>  <Cat> (161)
S3770

>  <Name> (161)
Sodium Aescinate

>  <Synonyms> (161)
Escin sodium salt

>  <Target> (161)
Others

>  <Form> (161)
sodium salt

>  <CAS> (161)
20977-05-3

>  <URL> (161)
http://www.selleckchem.com/products/sodium-aescinate.html

$$$$
WT161.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (162)
174

>  <Formula> (162)
C27H30N4O3

>  <MolWeight> (162)
458.5521

>  <Cat> (162)
S8495

>  <Name> (162)
WT161

>  <Synonyms> (162)
N/A

>  <Target> (162)
HDAC1,2,6

>  <Form> (162)
free base

>  <CAS> (162)
1206731-57-8

>  <URL> (162)
http://www.selleckchem.com/products/wt161.html

$$$$
Bromosporine.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (163)
175

>  <Formula> (163)
C17H20N6O4S

>  <MolWeight> (163)
404.4435

>  <Cat> (163)
S7233

>  <Name> (163)
Bromosporine

>  <Synonyms> (163)
N/A

>  <Target> (163)
Epigenetic Reader Domain

>  <Form> (163)
Free Base

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

$$$$
192441-08-0.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (164)
176

>  <Formula> (164)
C10H8BrN5OS

>  <MolWeight> (164)
326.17242

>  <Cat> (164)
S8056

>  <Name> (164)
Lomeguatrib

>  <Synonyms> (164)
PaTrin-2

>  <Target> (164)
DNA Methyltransferase

>  <Form> (164)
Free Base

>  <CAS> (164)
192441-08-0

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

$$$$
EPZ005687.cdx
csChFnd80/06042015232D

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EPZ005687

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Histone Methyltransferase

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Free Base

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1396772-26-1

>  <URL> (165)
http://www.selleckchem.com/products/epz005687.html

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csChFnd80/06042015232D

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GSK525762, GSK525762A

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Epigenetic Reader Domain

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Free Base

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1260907-17-2

>  <URL> (166)
http://www.selleckchem.com/products/i-bet-762.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/06042015232D

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179

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C16H10BrN3O2

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S7198

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BIO

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GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

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GSK-3

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Free Base

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667463-62-9

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

$$$$
RGFP966.cdx
csChFnd80/06042015232D

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180

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C21H19FN4O

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RGFP966

>  <Synonyms> (168)
N/A

>  <Target> (168)
HDAC

>  <Form> (168)
Free Base

>  <CAS> (168)
1396841-57-8

>  <URL> (168)
http://www.selleckchem.com/products/rgfp966.html

$$$$
ZM39923 HCl.cdx
csChFnd80/06042015232D

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C23H26ClNO

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ZM 39923 HCl

>  <Synonyms> (169)
N/A

>  <Target> (169)
JAK

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HCl

>  <CAS> (169)
1021868-92-7

>  <URL> (169)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
SGC 0946.cdx
csChFnd80/06042015232D

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  1  2  2  0  0  0  0
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  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 25 30  1  6  0  0  0
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 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
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 31 35  1  0  0  0  0
 35 36  2  0  0  0  0
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 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (170)
182

>  <Formula> (170)
C28H40BrN7O4

>  <MolWeight> (170)
618.5657

>  <Cat> (170)
S7079

>  <Name> (170)
SGC 0946

>  <Synonyms> (170)
N/A

>  <Target> (170)
Histone Methyltransferase

>  <Form> (170)
Free Base

>  <URL> (170)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/06042015232D

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   10.8477    8.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2671    7.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (171)
183

>  <Formula> (171)
C26H27N5O5S2

>  <MolWeight> (171)
553.65308

>  <Cat> (171)
S7207

>  <Name> (171)
Ro 31-8220 Mesylate

>  <Synonyms> (171)
Bisindolylmaleimide IX Mesylate

>  <Target> (171)
PKC

>  <Form> (171)
Mesylate

>  <CAS> (171)
138489-18-6

>  <URL> (171)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
SGI-1027.cdx
csChFnd80/06042015232D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (172)
184

>  <Formula> (172)
C27H23N7O

>  <MolWeight> (172)
461.51782

>  <Cat> (172)
S7276

>  <Name> (172)
SGI-1027

>  <Synonyms> (172)
DNA Methyltransferase Inhibitor II

>  <Target> (172)
DNA Methyltransferase

>  <Form> (172)
Free Base

>  <CAS> (172)
1020149-73-8

>  <URL> (172)
http://www.selleckchem.com/products/sgi-1027.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/06042015232D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (173)
185

>  <Formula> (173)
C24H27Cl2N5O

>  <MolWeight> (173)
472.41008

>  <Cat> (173)
S7306

>  <Name> (173)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (173)
BML-275,Compound C

>  <Target> (173)
AMPK

>  <Form> (173)
Dihydrochloride

>  <CAS> (173)
1219168-18-9

>  <URL> (173)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
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Histone Methyltransferase

>  <Form> (174)
Free Base

>  <CAS> (174)
1403254-99-8

>  <URL> (174)
http://www.selleckchem.com/products/epz-6438.html

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RVX-000222

>  <Target> (175)
Epigenetic Reader Domain

>  <Form> (175)
Free Base

>  <CAS> (175)
1044870-39-4

>  <URL> (175)
http://www.selleckchem.com/products/rvx-208.html

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JAK

>  <Form> (176)
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>  <CAS> (176)
945755-56-6

>  <URL> (176)
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1431612-23-5

>  <URL> (177)
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> (178)
http://www.selleckchem.com/products/jib-04.html

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HMTase Inhibitor IX

>  <Target> (179)
Histone Methyltransferase

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Free Base

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1417329-24-8

>  <URL> (179)
http://www.selleckchem.com/products/mm-102.html

$$$$
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JAK

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937272-79-2

>  <URL> (180)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
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N/A

>  <Target> (181)
HDAC

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Free Base

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1215493-56-3

>  <URL> (181)
http://www.selleckchem.com/products/rg2833-rgfp109.html

$$$$
WZ4003.cdx
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C25H29ClN6O3

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>  <Synonyms> (182)
N/A

>  <Target> (182)
AMPK

>  <Form> (182)
Free Base

>  <CAS> (182)
1214265-58-3

>  <URL> (182)
http://www.selleckchem.com/products/wz4003.html

$$$$
SGC-CBP30.cdx
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196

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C28H33ClN4O3

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SGC-CBP30

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N/A

>  <Target> (183)
Epigenetic Reader Domain

>  <Form> (183)
Free Base

>  <URL> (183)
http://www.selleckchem.com/products/sgc-cbp30.html

$$$$
MK8745.cdx
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>  <Form> (184)
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>  <CAS> (184)
885325-71-3

>  <URL> (184)
http://www.selleckchem.com/products/mk-8745.html

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AGI-6780

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N/A

>  <Target> (189)
Dehydrogenase

>  <Form> (189)
Free Base 

>  <CAS> (189)
1432660-47-3

>  <URL> (189)
http://www.selleckchem.com/products/agi-6780.html

$$$$
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csChFnd80/06042015232D

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DMOG

>  <Synonyms> (190)
Dimethyloxalylglycine

>  <Target> (190)
Hydroxylase

>  <Form> (190)
Free Base

>  <CAS> (190)
89464-63-1

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

$$$$
OG-L002.cdx
csChFnd80/06042015232D

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OG-L002

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N/A

>  <Target> (191)
Histone demethylases

>  <Form> (191)
Free Base

>  <CAS> (191)
1357302-64-7

>  <URL> (191)
http://www.selleckchem.com/products/og-l002.html

$$$$
C646.cdx
csChFnd80/06042015232D

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205

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C24H19N3O6

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S7152

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C646

>  <Synonyms> (192)
N/A

>  <Target> (192)
Histone Acetyltransferase

>  <Form> (192)
Free Base

>  <CAS> (192)
328968-36-1

>  <URL> (192)
http://www.selleckchem.com/products/c646.html

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UNC1215.cdx
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Epigenetic Reader Domain

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1415800-43-9

>  <URL> (193)
http://www.selleckchem.com/products/nuc1215.html

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Free Base

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838818-26-1

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http://www.selleckchem.com/products/wiki4.html

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Histone demethylases

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Free Base

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5852-78-8

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http://www.selleckchem.com/products/iox1.html

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AZD1208.cdx
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AZD1208

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N/A

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Pim

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Free Base

>  <CAS> (196)
1204144-28-4

>  <URL> (196)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/06042015232D

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C26H25Cl2N3O3

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CX-6258 HCl

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N/A

>  <Target> (197)
Pim

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>  <CAS> (197)
1353859-00-3

>  <URL> (197)
http://www.selleckchem.com/products/CX-6258.html

$$$$
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>  <CAS> (198)
1446144-04-2

>  <URL> (198)
http://www.selleckchem.com/products/cpi-203.html

$$$$
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1169562-71-3

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Histone Acetyltransferase

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Free Base

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1243583-85-8

>  <URL> (201)
http://www.selleckchem.com/products/mg149.html

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    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> (203)
217

>  <Formula> (203)
C15H22N2O3

>  <MolWeight> (203)
278.34678

>  <Cat> (203)
S7595

>  <Name> (203)
Santacruzamate A (CAY10683)

>  <Synonyms> (203)
N/A

>  <Target> (203)
HDAC

>  <Form> (203)
Free Base

>  <CAS> (203)
1477949-42-0

>  <URL> (203)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
filgotinib.cdx
csChFnd80/06042015232D

 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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.0792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (204)
218

>  <Formula> (204)
C21H23N5O3S

>  <MolWeight> (204)
425.50402

>  <Cat> (204)
S7605

>  <Name> (204)
Filgotinib£¨GLPG0643)

>  <Synonyms> (204)
N/A

>  <Target> (204)
JAK

>  <Form> (204)
Free Base

>  <CAS> (204)
1206161-97-8

>  <URL> (204)
http://www.selleckchem.com/products/filgotinib.html

$$$$
PFI-3.cdx
csChFnd80/06042015232D

 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> (205)
219

>  <Formula> (205)
C19H19N3O2

>  <MolWeight> (205)
321.37306

>  <Cat> (205)
S7315

>  <Name> (205)
PFI-3

>  <Synonyms> (205)
N/A

>  <Target> (205)
Epigenetic Reader Domain

>  <Form> (205)
Free Base

>  <URL> (205)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Tasquinimod .cdx
csChFnd80/06042015232D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (206)
220

>  <Formula> (206)
C20H17F3N2O4

>  <MolWeight> (206)
406.3551896

>  <Cat> (206)
S7617

>  <Name> (206)
Tasquinimod

>  <Synonyms> (206)
ABR-215050

>  <Target> (206)
HDAC

>  <Form> (206)
Free Base

>  <CAS> (206)
254964-60-8

>  <URL> (206)
http://www.selleckchem.com/products/tasquinimod.html

$$$$
Anacardic Acid.cdx
csChFnd80/06042015232D

 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> (207)
222

>  <Formula> (207)
C22H36O3

>  <MolWeight> (207)
348.51944

>  <Cat> (207)
S7582

>  <Name> (207)
Anacardic Acid

>  <Synonyms> (207)
6-pentadecylsalicylic Acid

>  <Target> (207)
Histone Acetyltransferase

>  <Form> (207)
Free Base

>  <CAS> (207)
16611-84-0

>  <URL> (207)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
Splitomicin.cdx
csChFnd80/06042015232D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (208)
223

>  <Formula> (208)
C13H10O2

>  <MolWeight> (208)
198.2173

>  <Cat> (208)
S7593

>  <Name> (208)
Splitomicin

>  <Synonyms> (208)
N/A

>  <Target> (208)
Sirtuin

>  <Form> (208)
Free Base

>  <CAS> (208)
1384339

>  <URL> (208)
http://www.selleckchem.com/products/splitomicin.html

$$$$
URMC-099.cdx
csChFnd80/06042015232D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
224

>  <Formula> (209)
C27H27N5

>  <MolWeight> (209)
421.53678

>  <Cat> (209)
S7343

>  <Name> (209)
URMC-099

>  <Synonyms> (209)
N/A

>  <Target> (209)
Others

>  <Form> (209)
Free Base

>  <CAS> (209)
1229582-33-5

>  <URL> (209)
http://www.selleckchem.com/products/urmc-099.html

$$$$
PFI-2.cdx
csChFnd80/06042015232D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (210)
225

>  <Formula> (210)
C23H25F4N3O3S

>  <MolWeight> (210)
499.5215128

>  <Cat> (210)
S7294

>  <Name> (210)
PFI-2 HCl

>  <Synonyms> (210)
N/A

>  <Target> (210)
Histone Methyltransferase

>  <Form> (210)
Hydrochloride

>  <CAS> (210)
1627676-59-8

>  <URL> (210)
http://www.selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (211)
226

>  <Formula> (211)
C18H25N5S2

>  <MolWeight> (211)
375.5546

>  <Cat> (211)
S7619

>  <Name> (211)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (211)
N/A

>  <Target> (211)
Histone Methyltransferase

>  <Form> (211)
Free Base

>  <CAS> (211)
1271738-59-0

>  <URL> (211)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
G-749.cdx
csChFnd80/06042015232D

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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (212)
228

>  <Formula> (212)
C25H25BrN6O2

>  <MolWeight> (212)
521.409

>  <Cat> (212)
S7545

>  <Name> (212)
G-749

>  <Synonyms> (212)
N/A

>  <Target> (212)
FLT3

>  <Form> (212)
Free Base

>  <CAS> (212)
1457983-28-6

>  <URL> (212)
http://www.selleckchem.com/products/g-749.html

$$$$
Nedaplatin.cdx
csChFnd80/06042015232D
CFW_RXN
  8  6  0  0  0  0  0  0  0  0999 V2000
    3.1062    1.0404    0.0000 Pt  0  0  0  0  0  0  0  5  2  0  0  0
    2.4062    2.2528    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
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    0.8905    0.5694    0.0000 C   0  0  0  0  0  0  0  5  2  0  0  0
    2.1694    0.0000    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    0.0000    2.8953    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    6.5243    3.4968    0.0000 R   0  0  0  0  0  0  0  1  1  1  0  0
    6.5243    0.0697    0.0000 R   0  0  0  0  0  0  0  2  3  1  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (213)
229

>  <Formula> (213)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (213)
269.11348

>  <Cat> (213)
S1826

>  <Name> (213)
Nedaplatin

>  <Synonyms> (213)
N/A

>  <Target> (213)
DNA/RNA Synthesis

>  <Form> (213)
Free Base

>  <CAS> (213)
95734-82-0

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

$$$$
GF 109203X(G 6850).cdx
csChFnd80/06042015232D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.1450    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 30  1  0  0  0  0
 10 29  2  0  0  0  0
M  END
>  <Mol_ID> (214)
230

>  <Formula> (214)
C25H24N4O2

>  <MolWeight> (214)
412.48366

>  <Cat> (214)
S7208

>  <Name> (214)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (214)
GO 6850

>  <Target> (214)
PKC

>  <Form> (214)
Free Base

>  <CAS> (214)
133052-90-1

>  <URL> (214)
http://www.selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/06042015232D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (215)
231

>  <Formula> (215)
C17H18ClN3O2

>  <MolWeight> (215)
331.79672

>  <Cat> (215)
S7300

>  <Name> (215)
PJ34 hcl

>  <Synonyms> (215)
N/A

>  <Target> (215)
PARP

>  <Form> (215)
Hydrochloride

>  <CAS> (215)
344458-15-7

>  <URL> (215)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/06042015232D

 32 34  0  0  0  0  0  0  0  0999 V2000
   12.1244    3.5174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    1.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (216)
232

>  <Formula> (216)
C20H28ClN7O3S

>  <MolWeight> (216)
481.99942

>  <Cat> (216)
S7634

>  <Name> (216)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (216)
N/A

>  <Target> (216)
JAK

>  <Form> (216)
Hydrochloride

>  <CAS> (216)
1369761-01-2

>  <URL> (216)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (217)
233

>  <Formula> (217)
C18H25N5S2

>  <MolWeight> (217)
375.5546

>  <Cat> (217)
S7618

>  <Name> (217)
MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (217)
N/A

>  <Target> (217)
Histone Methyltransferase

>  <Form> (217)
Free Base

>  <CAS> (217)
1271738-62-5

>  <URL> (217)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
SP2509.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (218)
234

>  <Formula> (218)
C19H20ClN3O5S

>  <MolWeight> (218)
437.8972

>  <Cat> (218)
S7680

>  <Name> (218)
SP2509

>  <Synonyms> (218)
N/A

>  <Target> (218)
Histone Demethylase

>  <Form> (218)
Free Base

>  <CAS> (218)
1423715-09-6

>  <URL> (218)
http://www.selleckchem.com/products/sp2509.html

$$$$
GSK1324726A (I-BET726).cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (219)
235

>  <Formula> (219)
C25H23ClN2O3

>  <MolWeight> (219)
434.91472

>  <Cat> (219)
S7620

>  <Name> (219)
GSK1324726A (I-BET726)

>  <Synonyms> (219)
N/A

>  <Target> (219)
Epigenetic Reader Domain

>  <Form> (219)
Free Base

>  <CAS> (219)
1300031-52-0

>  <URL> (219)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

$$$$
BRD4770.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (220)
237

>  <Formula> (220)
C25H23N3O3

>  <MolWeight> (220)
413.46842

>  <Cat> (220)
S7591

>  <Name> (220)
BRD4770

>  <Synonyms> (220)
N/A

>  <Target> (220)
Histone Methyltransferase

>  <Form> (220)
Free Base

>  <CAS> (220)
1374601-40-7

>  <URL> (220)
http://www.selleckchem.com/products/brd4770.html

$$$$
PX-478 2HCl.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (221)
238

>  <Formula> (221)
C13H20Cl4N2O3

>  <MolWeight> (221)
394.1215

>  <Cat> (221)
S7612

>  <Name> (221)
PX-478 2HCl

>  <Synonyms> (221)
N/A

>  <Target> (221)
HIF

>  <Form> (221)
Dihydrochlorid

>  <CAS> (221)
685898-44-6

>  <URL> (221)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
Reversine.cdx
csChFnd80/06042015232D

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656820-32-5

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HDAC

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1045792-66-2

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

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LMK-235.cdx
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HDAC

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1418033-25-6

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

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MS436.cdx
csChFnd80/06042015232D

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1395084-25-9

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N/A

>  <Target> (226)
HDAC

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Free Base

>  <CAS> (226)
1429651-50-2

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

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N/A

>  <Target> (227)
Histone Demethylase

>  <Form> (227)
Free Base

>  <CAS> (227)
1222800-79-4

>  <URL> (227)
http://www.selleckchem.com/products/ml324.html

$$$$
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C23H21N5O3S

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4SC-202

>  <Synonyms> (228)
N/A

>  <Target> (228)
HDAC

>  <Form> (228)
Free Base

>  <CAS> (228)
910462-43-0

>  <URL> (228)
http://www.selleckchem.com/products/4sc-202.html

$$$$
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OF-1

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Epigenetic Reader Domain

>  <Form> (229)
Free Base

>  <CAS> (229)
919973-83-4

>  <URL> (229)
http://www.selleckchem.com/products/of-1.html

$$$$
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Histone Methyltransferase

>  <Form> (230)
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>  <CAS> (230)
1620401-82-2

>  <URL> (230)
http://www.selleckchem.com/products/unc0379.html

$$$$
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>  <Mol_ID> (231)
249

>  <Formula> (231)
C14H22Cl2N2

>  <MolWeight> (231)
289.24388

>  <Cat> (231)
S7574

>  <Name> (231)
GSK-LSD1 2HCl

>  <Synonyms> (231)
N/A

>  <Target> (231)
Histone Demethylase

>  <Form> (231)
Dihydrochloride

>  <CAS> (231)
1431368-48-7

>  <URL> (231)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/06042015232D

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250

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C31H38N6O2

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526.67242

>  <Cat> (232)
S7061

>  <Name> (232)
GSK126

>  <Synonyms> (232)
N/A

>  <Target> (232)
Histone Methyltransferase

>  <Form> (232)
Free Base

>  <CAS> (232)
1346574-57-9

>  <URL> (232)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/06042015232D

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251

>  <Formula> (233)
C20H25N5O3

>  <MolWeight> (233)
383.4442

>  <Cat> (233)
S7748

>  <Name> (233)
EPZ015666

>  <Synonyms> (233)
N/A

>  <Target> (233)
Histone Methyltransferase

>  <Form> (233)
Free Base

>  <CAS> (233)
1616391-65-1

>  <URL> (233)
http://www.selleckchem.com/products/epz015666.html

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/06042015232D

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>  <Mol_ID> (234)
252

>  <Formula> (234)
C26H24N6O2S2

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>  <Cat> (234)
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>  <Name> (234)
SRT2104 (GSK2245840)

>  <Synonyms> (234)
N/A

>  <Target> (234)
Sirtuin

>  <Form> (234)
Free Base

>  <CAS> (234)
1093403-33-8

>  <URL> (234)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

$$$$
BRD73954.cdx
csChFnd80/06042015232D

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C22H23N5O2

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GSK J1

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N/A

>  <Target> (239)
Histone Demethylase

>  <Form> (239)
Free Base

>  <CAS> (239)
1373422-53-7

>  <URL> (239)
http://www.selleckchem.com/products/gsk-j1.html

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BG45.cdx
csChFnd80/06042015232D

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BG45

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N/A

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HDAC

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Free Base

>  <CAS> (240)
926259-99-6

>  <URL> (240)
http://www.selleckchem.com/products/bg45.html

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HTH-01-015.cdx
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259

>  <Formula> (241)
C26H28N8O

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468.55352

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S7318

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HTH-01-015

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N/A

>  <Target> (241)
AMPK

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Free Base

>  <CAS> (241)
1613724-42-7

>  <URL> (241)
http://www.selleckchem.com/products/hth-01-015.html

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Dorsomorphin.cdx
csChFnd80/06042015232D

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260

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C24H25N5O

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AMPK

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Free Base

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866405-64-3

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

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KC7F2.cdx
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261

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HIF

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927822-86-4

>  <URL> (243)
http://www.selleckchem.com/products/kc7f2.html

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PFI-4.cdx
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C21H24N4O3

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PFI-4

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N/A

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Epigenetic Reader Domain

>  <Form> (244)
Free Base

>  <CAS> (244)
900305-37-5

>  <URL> (244)
http://www.selleckchem.com/products/pfi-4.html

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C18H22N4O2

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Peficitinib (ASP015K, JNJ-54781532)

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N/A

>  <Target> (245)
JAK

>  <Form> (245)
Free Base

>  <CAS> (245)
944118-01-8

>  <URL> (245)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
GSK621.cdx
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>  <Mol_ID> (246)
264

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C26H20ClN3O5

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S7898

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GSK621

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N/A

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AMPK

>  <Form> (246)
Free Base

>  <CAS> (246)
1346607-05-3

>  <URL> (246)
http://www.selleckchem.com/products/gsk621.html

$$$$
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265

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S7795

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ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (247)
N/A

>  <Target> (247)
Histone Demethylase

>  <Form> (247)
Dihydrochloride

>  <CAS> (247)
1431326-61-2

>  <URL> (247)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
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M  END
>  <Mol_ID> (248)
266

>  <Formula> (248)
C18H19F3N6O

>  <MolWeight> (248)
392.3782696

>  <Cat> (248)
S7541

>  <Name> (248)
Decernotinib (VX-509)

>  <Synonyms> (248)
N/A

>  <Target> (248)
JAK

>  <Form> (248)
Free Base

>  <CAS> (248)
944842-54-0

>  <URL> (248)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (249)
267

>  <Formula> (249)
C24H20Cl2FN5O2

>  <MolWeight> (249)
500.3523032

>  <Cat> (249)
S7709

>  <Name> (249)
VX-11e

>  <Synonyms> (249)
VTX-11e, Vertex-11e

>  <Target> (249)
ERK

>  <Form> (249)
Free Base

>  <CAS> (249)
896720-20-0

>  <URL> (249)
http://www.selleckchem.com/products/vx-11e.html

$$$$
Mitomycin C.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (250)
268

>  <Formula> (250)
C15H18N4O5

>  <MolWeight> (250)
334.32722

>  <Cat> (250)
S8146

>  <Name> (250)
Mitomycin C

>  <Synonyms> (250)
N/A
N/A
N/A

>  <Target> (250)
DNA/RNA Synthesis

>  <Form> (250)
Free Base

>  <CAS> (250)
18451

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

$$$$
NVP-TNKS656.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (251)
269

>  <Formula> (251)
C27H34N4O5

>  <MolWeight> (251)
494.58266

>  <Cat> (251)
S7238

>  <Name> (251)
NVP-TNKS656

>  <Synonyms> (251)
N/A

>  <Target> (251)
PARP

>  <Form> (251)
Free Base

>  <CAS> (251)
1419949-20-4

>  <URL> (251)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
FG-2216.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (252)
270

>  <Formula> (252)
C12H9ClN2O4

>  <MolWeight> (252)
280.66386

>  <Cat> (252)
S7979

>  <Name> (252)
FG-2216

>  <Synonyms> (252)
N/A

>  <Target> (252)
HIF

>  <Form> (252)
Free Base

>  <CAS> (252)
223387-75-5

>  <URL> (252)
http://www.selleckchem.com/products/fg-2216.html

$$$$
SGC707.cdx
csChFnd80/06042015232D

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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6401    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (253)
271

>  <Formula> (253)
C16H18N4O2

>  <MolWeight> (253)
298.33972

>  <Cat> (253)
S7832

>  <Name> (253)
SGC707

>  <Synonyms> (253)
N/A

>  <Target> (253)
Histone Methyltransferase

>  <Form> (253)
Free Base

>  <CAS> (253)
1687736-54-4

>  <URL> (253)
http://www.selleckchem.com/products/sgc707.html

$$$$
Cucurbitacin B.cdx
csChFnd80/06042015232D

 43 46  0  0  0  0  0  0  0  0999 V2000
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
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M  END
>  <Mol_ID> (254)
272

>  <Formula> (254)
C32H46O8

>  <MolWeight> (254)
558.70284

>  <Cat> (254)
S8165

>  <Name> (254)
Cucurbitacin B

>  <Synonyms> (254)
N/A

>  <Target> (254)
Microtubule Associated

>  <Form> (254)
Free Base

>  <CAS> (254)
6199-67-3

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

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/06042015232D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12  8  1  0  0  0  0
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M  END
>  <Mol_ID> (255)
273

>  <Formula> (255)
C13H14N8O2

>  <MolWeight> (255)
314.30266

>  <Cat> (255)
S8138

>  <Name> (255)
Molidustat(BAY 85-3934)

>  <Synonyms> (255)
N/A

>  <Target> (255)
HIF

>  <Form> (255)
Free Base

>  <CAS> (255)
1154028-82-6

>  <URL> (255)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Mirin.cdx
csChFnd80/06042015232D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (256)
274

>  <Formula> (256)
C10H8N2O2S

>  <MolWeight> (256)
220.24772

>  <Cat> (256)
S8096

>  <Name> (256)
Mirin

>  <Synonyms> (256)
N/A

>  <Target> (256)
ATM/ATR

>  <Form> (256)
Free Base

>  <CAS> (256)
1198097-97-0

>  <URL> (256)
http://www.selleckchem.com/products/mirin.html

$$$$
GSK2879552.cdx
csChFnd80/06042015232D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (257)
275

>  <Formula> (257)
C23H30Cl2N2O2

>  <MolWeight> (257)
437.4025

>  <Cat> (257)
S7796

>  <Name> (257)
GSK2879552 2HCl

>  <Synonyms> (257)
N/A

>  <Target> (257)
Histone Demethylase

>  <Form> (257)
Dihydrochloride

>  <CAS> (257)
1401966-69-5

>  <URL> (257)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (258)
276

>  <Formula> (258)
C19H27N3O6

>  <MolWeight> (258)
393.43418

>  <Cat> (258)
S8171

>  <Name> (258)
Daprodustat (GSK1278863)

>  <Synonyms> (258)
N/A

>  <Target> (258)
HIF

>  <Form> (258)
Free Base

>  <CAS> (258)
960539-70-2

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

$$$$
MS023.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (259)
277

>  <Formula> (259)
C17H25N3O

>  <MolWeight> (259)
287.3999

>  <Cat> (259)
S8112

>  <Name> (259)
MS023

>  <Synonyms> (259)
N/A

>  <Target> (259)
Histone Methyltransferase

>  <Form> (259)
Free Base

>  <CAS> (259)
1831110-54-3

>  <URL> (259)
http://www.selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (260)
278

>  <Formula> (260)
C30H28N6O6S4

>  <MolWeight> (260)
696.83992

>  <Cat> (260)
S8068

>  <Name> (260)
Chaetocin

>  <Synonyms> (260)
N/A

>  <Target> (260)
Histone Methyltransferase

>  <Form> (260)
Free Base

>  <CAS> (260)
28097-03-2

>  <URL> (260)
http://www.selleckchem.com/products/chaetocin.html

$$$$
AZ6102.cdx
csChFnd80/06042015232D

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 25  7  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 24  1  0  0  0  0
 22 29  2  0  0  0  0
 28 30  1  0  0  0  0
 17 31  1  1  0  0  0
 19 32  1  1  0  0  0
M  END
>  <Mol_ID> (261)
279

>  <Formula> (261)
C25H28N6O

>  <MolWeight> (261)
428.52942

>  <Cat> (261)
S7767

>  <Name> (261)
AZ6102

>  <Synonyms> (261)
AZ-6102

>  <Target> (261)
PPAR

>  <Form> (261)
Free Base

>  <CAS> (261)
1645286-75-4

>  <URL> (261)
http://www.selleckchem.com/products/az6102.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/06042015232D

 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
    9.6995    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.3318    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
 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 12  1  0  0  0  0
 15 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 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> (262)
280

>  <Formula> (262)
C19H27N5O6S

>  <MolWeight> (262)
453.51258

>  <Cat> (262)
S8195

>  <Name> (262)
Oclacitinib maleate

>  <Synonyms> (262)
PF-03394197

>  <Target> (262)
JAK

>  <Form> (262)
Free Base

>  <CAS> (262)
1640292-55-2

>  <URL> (262)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
PF-CBP1.cdx
csChFnd80/06042015232D

 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
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    2.2157    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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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   18.5074    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 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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 29 30  2  0  0  0  0
 30 21  1  0  0  0  0
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 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> (263)
281

>  <Formula> (263)
C29H37ClN4O3

>  <MolWeight> (263)
525.08208

>  <Cat> (263)
S8180

>  <Name> (263)
PF-CBP1 HCL

>  <Synonyms> (263)
N/A

>  <Target> (263)
Epigenetic Reader Domain

>  <Form> (263)
Hydrochloride

>  <URL> (263)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/06042015232D

 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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   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
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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
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   17.4763    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
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 21 16  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 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> (264)
282

>  <Formula> (264)
C22H28N4O2

>  <MolWeight> (264)
380.48332

>  <Cat> (264)
S8111

>  <Name> (264)
GSK591 (EPZ015866,GSK3203591)

>  <Synonyms> (264)
EPZ015866, GSK3203591

>  <Target> (264)
Histone Methyltransferase

>  <Form> (264)
Free Base

>  <CAS> (264)
1616391-87-7

>  <URL> (264)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
HLCL-61.cdx
csChFnd80/06042015232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (265)
284

>  <Formula> (265)
C23H25ClN2O

>  <MolWeight> (265)
380.9104

>  <Cat> (265)
S8209

>  <Name> (265)
HLCL-61 hydrochloride

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HLCL61

>  <Target> (265)
Histone Methyltransferase

>  <Form> (265)
Hydrochloride

>  <CAS> (265)
1158279-20-9

>  <URL> (265)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
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I-BRD9 (GSK602)

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GSK602

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Epigenetic Reader Domain

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Free Base

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1714146-59-4

>  <URL> (266)
http://www.selleckchem.com/products/i-brd9-gsk602.html

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ETC-1002

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Bempedoic acid|ESP-55016

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AMPK

>  <Form> (267)
Free Base

>  <CAS> (267)
738606-46-7

>  <URL> (267)
http://www.selleckchem.com/products/etc-1002.html

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Dehydrogenase

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Free Base

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1446502-11-9

>  <URL> (268)
http://www.selleckchem.com/products/ag-221-enasidenib.html

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Histone Methyltransferase

>  <Form> (270)
Free Base

>  <CAS> (270)
1527503-11-2

>  <URL> (270)
http://www.selleckchem.com/products/a-366.html

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292

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>  <Name> (271)
MK-4827(Niraparib) tosylate

>  <Synonyms> (271)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (271)
PARP

>  <Form> (271)
4-?methylbenzen

>  <CAS> (271)
1038915-73-9

>  <URL> (271)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
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ITSA-1 (ITSA1)

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HDAC

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Free Base

>  <CAS> (272)
200626-61-5

>  <URL> (272)
http://www.selleckchem.com/products/itsa-1-itsa1.html

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LY333531 HCl

>  <Synonyms> (273)
Ruboxistaurin

>  <Target> (273)
PKC

>  <Form> (273)
hydrochloride

>  <CAS> (273)
169939-93-9

>  <URL> (273)
http://www.selleckchem.com/products/ly333531.html

$$$$
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>  <Mol_ID> (279)
301

>  <Formula> (279)
C29H32F3N5O3

>  <MolWeight> (279)
555.5912896

>  <Cat> (279)
S7833

>  <Name> (279)
OICR-9429

>  <Synonyms> (279)
N/A

>  <Target> (279)
Histone Methyltransferase

>  <Form> (279)
Free Base

>  <CAS> (279)
1801787-56-3

>  <URL> (279)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
CPI-1205.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (280)
302

>  <Formula> (280)
C27H33F3N4O3

>  <MolWeight> (280)
518.5711296

>  <Cat> (280)
S8353

>  <Name> (280)
CPI-1205

>  <Synonyms> (280)
CPI 1205, CPI1205

>  <Target> (280)
Histone Methyltransferase

>  <Form> (280)
Free Base

>  <CAS> (280)
1621862-70-1

>  <URL> (280)
http://www.selleckchem.com/products/cpi-1205.html

$$$$

csChFnd80/06042015232D

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>  <Mol_ID> (281)
303

>  <Formula> (281)
C20H25N3O2

>  <MolWeight> (281)
339.4314

>  <Cat> (281)
S1073

>  <Name> (281)
BML210/CAY10433

>  <Synonyms> (281)
N/A

>  <Target> (281)
HDAC

>  <Form> (281)
Free Base

>  <CAS> (281)
537034-17-6

>  <URL> (281)
http://www.selleck.cn/products/bml210-cay10433.html

$$$$
BGP-15.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (282)
304

>  <Formula> (282)
C14H24Cl2N4O2

>  <MolWeight> (282)
351.27196

>  <Cat> (282)
S8370

>  <Name> (282)
BGP-15 2HCl

>  <Synonyms> (282)
N/A

>  <Target> (282)
PARP

>  <Form> (282)
dihydrochloride

>  <CAS> (282)
66611-37-8

>  <URL> (282)
http://www.selleckchem.com/products/bgp-15.html

$$$$
UNC3866.cdx
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Histone Methyltransferase

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Free Base

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1872382-47-2

>  <URL> (283)
http://www.selleckchem.com/products/unc3866.html

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dihydrochloride

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1502816-23-0(free base)

>  <URL> (284)
http://www.selleckchem.com/products/ms049.html

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CaMK

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52029-86-4

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http://www.selleckchem.com/products/sto-609.html

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1001908-89-9

>  <URL> (286)
http://www.selleckchem.com/products/srt2183.html

$$$$
UNC0638.cdx
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>  <MolWeight> (287)
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>  <Cat> (287)
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>  <Name> (287)
UNC0638

>  <Synonyms> (287)
N/A

>  <Target> (287)
Histone Methyltransferase

>  <Form> (287)
Free Base

>  <CAS> (287)
1255580-76-7

>  <URL> (287)
http://www.selleckchem.com/products/unc0638.html

$$$$
EPZ020411.cdx
csChFnd80/06042015232D

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311

>  <Formula> (288)
C25H40Cl2N4O3

>  <MolWeight> (288)
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>  <Cat> (288)
S7820

>  <Name> (288)
EPZ020411 2HCl

>  <Synonyms> (288)
N/A

>  <Target> (288)
Histone Methyltransferase

>  <Form> (288)
dihydrochloride

>  <CAS> (288)
1700663-41-7(free base)

>  <URL> (288)
http://www.selleckchem.com/products/epz020411.html

$$$$
RRx-001.cdx
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313

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C5H6BrN3O5

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S8405

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RRx-001

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N/A

>  <Target> (289)
Dehydrogenase

>  <Form> (289)
Free Base

>  <CAS> (289)
925206-65-1

>  <URL> (289)
http://www.selleckchem.com/products/rrx-001.html

$$$$
Thiomyristoyl.cdx
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>  <Mol_ID> (290)
314

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C34H51N3O3S

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>  <Cat> (290)
S8245

>  <Name> (290)
Thiomyristoyl

>  <Synonyms> (290)
TM

>  <Target> (290)
Sirtuin

>  <Form> (290)
Free Base

>  <CAS> (290)
1429749-41-6

>  <URL> (290)
http://www.selleckchem.com/products/thiomyristoyl.html

$$$$
Salermide.cdx
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>  <Mol_ID> (291)
315

>  <Formula> (291)
C26H22N2O2

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394.46508

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S8460

>  <Name> (291)
Salermide

>  <Synonyms> (291)
N/A

>  <Target> (291)
Sirtuin

>  <Form> (291)
Free Base

>  <CAS> (291)
1105698-15-4

>  <URL> (291)
http://www.selleckchem.com/products/salermide.html

$$$$
YC-1.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (292)
316

>  <Formula> (292)
C19H16N2O2

>  <MolWeight> (292)
304.34254

>  <Cat> (292)
S7958

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Lificiguat(YC-1)

>  <Synonyms> (292)
N/A

>  <Target> (292)
HIF

>  <Form> (292)
Free Base

>  <CAS> (292)
170632-47-0

>  <URL> (292)
http://www.selleckchem.com/products/lificiguat-yc-1.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (293)
317

>  <Formula> (293)
C15H18O2

>  <MolWeight> (293)
230.30222

>  <Cat> (293)
S8291

>  <Name> (293)
Atractylenolide I

>  <Synonyms> (293)
N/A

>  <Target> (293)
Immunology & Inflammation related

>  <Form> (293)
Free Base

>  <CAS> (293)
73069-13-3
73069-13-3

>  <URL> (293)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/06042015232D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (294)
318

>  <Formula> (294)
C22H19F2N3O4S

>  <MolWeight> (294)
459.4657664

>  <Cat> (294)
S8400

>  <Name> (294)
ABBV-075 (Mivebresib)

>  <Synonyms> (294)
N/A

>  <Target> (294)
Epigenetic Reader Domain

>  <Form> (294)
Free Base

>  <CAS> (294)
1445993-26-9

>  <URL> (294)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/06042015232D

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HDAC

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1316215-12-9

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http://www.selleckchem.com/products/citarinostat-acy-241.html

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Aurora Kinase Inhibitor III

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Aurora Kinase

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879127-16-9

>  <URL> (296)
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PARP

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1140964-99-3

>  <URL> (297)
http://www.selleckchem.com/products/e7449.html

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1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (298)
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>  <Target> (303)
Histone Methyltransferase

>  <Form> (303)
trihydrochloride

>  <CAS> (303)
1392399-03-9

>  <URL> (303)
http://www.selleckchem.com/products/bix-01294.html

$$$$
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>  <MolWeight> (304)
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A-196

>  <Synonyms> (304)
N/A

>  <Target> (304)
SUV420H1,SUV420H2

>  <Form> (304)
free base

>  <CAS> (304)
1982372-88-2

>  <URL> (304)
http://www.selleckchem.com/products/a-196.html

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329

>  <Formula> (305)
C19H24N2O2

>  <MolWeight> (305)
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>  <Cat> (305)
S8340

>  <Name> (305)
SGC2085

>  <Synonyms> (305)
N/A

>  <Target> (305)
CARM1

>  <Form> (305)
free base

>  <CAS> (305)
1821908-48-8

>  <URL> (305)
http://www.selleckchem.com/products/sgc2085.html

$$$$
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C23H19F3N4O3

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TMP195

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HDAC9,HDAC7,HDAC4,HDAC5

>  <Form> (306)
free base

>  <CAS> (306)
1314891-22-9

>  <URL> (306)
http://www.selleckchem.com/products/tmp195.html

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1174428-47-7

>  <URL> (307)
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332

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N/A

>  <Target> (308)
Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (308)
hydrochloride 

>  <CAS> (308)
1952251-28-3

>  <URL> (308)
http://www.selleckchem.com/products/tak-659.html

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LW 6.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (309)
333

>  <Formula> (309)
C26H29NO5

>  <MolWeight> (309)
435.51216

>  <Cat> (309)
S8441

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LW 6

>  <Synonyms> (309)
N/A

>  <Target> (309)
HIF-1¦Á

>  <Form> (309)
free base

>  <CAS> (309)
934593-90-5

>  <URL> (309)
http://www.selleckchem.com/products/lw-6.html

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/06042015232D

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>  <Mol_ID> (310)
334

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C22H19FN4O2

>  <MolWeight> (310)
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>  <Cat> (310)
S8567

>  <Name> (310)
Tucidinostat (Chidamide)

>  <Synonyms> (310)
HBI-8000, CS-055

>  <Target> (310)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (310)
free base

>  <CAS> (310)
743420-02-2

>  <URL> (310)
http://www.selleckchem.com/products/tucidinostat-chidamide.html

$$$$
3-TYP.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (311)
335

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C7H6N4

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S8628

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3-TYP

>  <Synonyms> (311)
3-(1H-1,2,3-triazol-4-yl) pyridine

>  <Target> (311)
SIRT3,SIRT1,SIRT2

>  <Form> (311)
free base

>  <CAS> (311)
120241-79-4

>  <URL> (311)
http://www.selleckchem.com/products/3-typ.html

$$$$
PF-06726304.cdx
csChFnd80/06042015232D

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>  <Mol_ID> (312)
336

>  <Formula> (312)
C22H21Cl2N3O3

>  <MolWeight> (312)
446.32644

>  <Cat> (312)
S8494

>  <Name> (312)
PF-06726304

>  <Synonyms> (312)
PF-6726304

>  <Target> (312)
Ezh2 (wild-type),EZH2 Y641N

>  <Form> (312)
free base

>  <CAS> (312)
1616287-82-1

>  <URL> (312)
http://www.selleckchem.com/products/pf-06726304.html

$$$$
CP2.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (313)
337

>  <Formula> (313)
C92H120N24O26S

>  <MolWeight> (313)
2010.1474

>  <Cat> (313)
S8601

>  <Name> (313)
CP2

>  <Synonyms> (313)
N/A

>  <Target> (313)
KDM4C,KDM4A

>  <Form> (313)
free base

>  <CAS> (313)
No

>  <URL> (313)
http://www.selleckchem.com/products/cp2.html

$$$$
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>  <Form> (314)
free base

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508186-14-9

>  <URL> (314)
http://www.selleckchem.com/products/acss2-inhibitor.html

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free base

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1467057-23-3

>  <URL> (315)
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HDAC6

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free base

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1375465-91-0

>  <URL> (316)
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1616392-22-3

>  <URL> (317)
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 23 24  1  0  0  0  0
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 25  7  1  0  0  0  0
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 35 30  2  0  0  0  0
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 33 39  1  0  0  0  0
 31 40  2  0  0  0  0
M  END
>  <Mol_ID> (322)
347

>  <Formula> (322)
C30H38N8O2

>  <MolWeight> (322)
542.67512

>  <Cat> (322)
S8607

>  <Name> (322)
JQ-EZ-05 (JQEZ5)

>  <Synonyms> (322)
N/A

>  <Target> (322)
EZH1,EZH2

>  <Form> (322)
free base

>  <CAS> (322)
1913252-04-6

>  <URL> (322)
http://www.selleckchem.com/products/jq-ez-05-jqez5.html

$$$$
SNS-314.cdx
csChFnd80/06042015232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   15.0536    7.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8162    6.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 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> (323)
349

>  <Formula> (323)
C18H15ClN6OS2

>  <MolWeight> (323)
430.9343

>  <Cat> (323)
S8699

>  <Name> (323)
SNS-314 Mesylate

>  <Synonyms> (323)
N/A

>  <Target> (323)
Aurora Kinase

>  <CAS> (323)
1057249-41-8

>  <URL> (323)
http://selleckchem.com/products/sns-314.html

$$$$
S5269 J147.cdx
csChFnd80/06042015232D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    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
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   10.9119    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    6.1124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  1  0  0  0  0
  9 13  1  0  0  0  0
  6  7  1  0  0  0  0
  5  6  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 16 22  1  0  0  0  0
  4 15  1  0  0  0  0
  1  4  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
>  <Mol_ID> (324)
350

>  <Formula> (324)
C18H17F3N2O2

>  <MolWeight> (324)
350.3349896

>  <Cat> (324)
S5269

>  <Name> (324)
J147

>  <Synonyms> (324)
N/A

>  <Target> (324)
Others

>  <Form> (324)
free base

>  <CAS> (324)
1146963-51-0

>  <URL> (324)
http://selleckchem.com/products/j147.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/06042015232D

 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
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    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
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  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> (325)
351

>  <Formula> (325)
C10H16N5O8P

>  <MolWeight> (325)
365.236501

>  <Cat> (325)
S5284

>  <Name> (325)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (325)
5'-Adenylic acid, 5'-AMP

>  <Target> (325)
AMPK

>  <Form> (325)
hydrate 

>  <CAS> (325)
18422-05-4

>  <URL> (325)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5262 UNC-926.cdx
csChFnd80/06042015232D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1067    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    1.3314    0.0000 N   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
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  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 15  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  2  0  0  0  0
M  END
>  <Mol_ID> (326)
353

>  <Formula> (326)
C16H21BrN2O

>  <MolWeight> (326)
337.25474

>  <Cat> (326)
S5262

>  <Name> (326)
UNC-926

>  <Synonyms> (326)
N/A

>  <Target> (326)
Others

>  <Form> (326)
free base

>  <CAS> (326)
1184136-10-4

>  <URL> (326)
http://selleckchem.com/products/unc-926.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/06042015232D

 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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  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> (327)
354

>  <Formula> (327)
C12H9ClO2S

>  <MolWeight> (327)
252.71666

>  <Cat> (327)
S5438

>  <Name> (327)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (327)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (327)
HDAC

>  <Form> (327)
free base

>  <CAS> (327)
1623-93-4

>  <URL> (327)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/06042015232D

 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
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   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
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   18.8850    2.4286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (328)
355

>  <Formula> (328)
C21H16N2O9S2

>  <MolWeight> (328)
504.48974

>  <Cat> (328)
S5445

>  <Name> (328)
AMI-1, free acid

>  <Synonyms> (328)
N/A

>  <Target> (328)
Histone Methyltransferase

>  <Form> (328)
free base

>  <CAS> (328)
134-47-4

>  <URL> (328)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/06042015232D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 19 22  1  0  0  0  0
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 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
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 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (329)
356

>  <Formula> (329)
C22H26O11

>  <MolWeight> (329)
466.43524

>  <Cat> (329)
S5457

>  <Name> (329)
Curculigoside

>  <Synonyms> (329)
Curculigoside A

>  <Target> (329)
Immunology & Inflammation related

>  <Form> (329)
free base

>  <CAS> (329)
85643-19-2

>  <URL> (329)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/06042015232D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6133    5.6060    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
  1  4  2  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (330)
357

>  <Formula> (330)
C29H36O15

>  <MolWeight> (330)
624.58714

>  <Cat> (330)
S5458

>  <Name> (330)
Verbascoside

>  <Synonyms> (330)
Acteoside, Kusaginin

>  <Target> (330)
Immunology & Inflammation related

>  <Form> (330)
free base

>  <CAS> (330)
61276-17-3

>  <URL> (330)
http://selleckchem.com/products/verbascoside.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/06042015232D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  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
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  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
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 11 15  2  0  0  0  0
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 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> (331)
358

>  <Formula> (331)
C20H18O6

>  <MolWeight> (331)
354.35332

>  <Cat> (331)
S3934

>  <Name> (331)
Acetyl Resveratrol

>  <Synonyms> (331)
N/A

>  <Target> (331)
Sirt12

>  <Form> (331)
free base

>  <CAS> (331)
42206-94-0

>  <URL> (331)
http://selleckchem.com/products/.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/06042015232D

 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
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    4.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (332)
359

>  <Formula> (332)
C8H6N2O

>  <MolWeight> (332)
146.14604

>  <Cat> (332)
S9360

>  <Name> (332)
4-Hydroxyquinazoline

>  <Form> (332)
free base

>  <CAS> (332)
491-36-1

$$$$
S9401 3,6'-Disinapoyl sucrose.cdx
csChFnd80/06042015232D

 53 56  0  0  0  0  0  0  0  0999 V2000
   15.7623    6.2995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0516    7.6713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5491    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5491    2.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3671    6.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7623    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3359    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8385    8.3713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1226    2.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1226    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7978    7.4334    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4261    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7384   13.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3302    8.2406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5937   11.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6045   14.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4748    9.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7533   10.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9027   11.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1812   12.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3151   11.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3260   13.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9094    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    4.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3456   10.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    6.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1528    6.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7623    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6937    9.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9094    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0169   13.8727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7539   15.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7230   11.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4307    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    4.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9967    9.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0324   16.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0015   11.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  6  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  2  0  0  0  0
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 16 29  1  0  0  0  0
 17 30  2  0  0  0  0
 18 28  2  0  0  0  0
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 20 15  1  0  0  0  0
 21 33  1  0  0  0  0
 22 20  1  0  0  0  0
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 25 23  2  0  0  0  0
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 27 25  1  0  0  0  0
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 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 26  2  0  0  0  0
 11 32  1  1  0  0  0
 33 32  1  0  0  0  0
 34 20  2  0  0  0  0
 35 21  2  0  0  0  0
  1 36  1  6  0  0  0
  4 37  1  6  0  0  0
  7 38  1  1  0  0  0
  9 39  1  1  0  0  0
 10 40  1  6  0  0  0
 41 13  1  0  0  0  0
 42 14  1  0  0  0  0
 43 16  1  0  0  0  0
 44 19  1  0  0  0  0
 45 17  1  0  0  0  0
 46 18  1  0  0  0  0
 12 47  1  6  0  0  0
 48 36  1  0  0  0  0
 49 47  1  0  0  0  0
 50 44  1  0  0  0  0
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 52 45  1  0  0  0  0
 53 43  1  0  0  0  0
  9 12  1  0  0  0  0
  7 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (333)
360

>  <Formula> (333)
C34H42O19

>  <MolWeight> (333)
754.68588

>  <Cat> (333)
S9401

>  <Name> (333)
 3,6'-Disinapoyl sucrose

>  <Form> (333)
free base

>  <CAS> (333)
139891-98-8

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/06042015232D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2697    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    2.8121    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0490    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9020    6.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6669    8.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1225    6.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    8.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1913    2.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
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 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (334)
361

>  <Formula> (334)
C22H24NO4+

>  <MolWeight> (334)
366.43026

>  <Cat> (334)
S9431

>  <Name> (334)
Dehydrocorydalin

>  <Form> (334)
free base

>  <CAS> (334)
30045-16-0

$$$$

csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (335)
362

>  <Formula> (335)
C16H15N3O3

>  <MolWeight> (335)
297.3086

>  <Cat> (335)
S5903

>  <Name> (335)
JANEX-1

>  <Synonyms> (335)
WHI-P131

>  <Target> (335)
JAK

>  <Form> (335)
Free Base

>  <CAS> (335)
202475-60-3

>  <URL> (335)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/06042015232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    0.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262    2.8503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    8.3968    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 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
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (336)
363

>  <Formula> (336)
C16H13Br2N3O3

>  <MolWeight> (336)
455.10072

>  <Cat> (336)
S5904

>  <Name> (336)
WHI-P97

>  <Synonyms> (336)
N/A

>  <Target> (336)
JAK

>  <Form> (336)
Free Base

>  <CAS> (336)
211555-05-4

>  <URL> (336)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/06042015232D

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9527    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7082    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1674    1.3332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9527    3.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4984    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3855    1.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688    2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    2.1086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (337)
364

>  <Formula> (337)
C8H16N2O4

>  <MolWeight> (337)
204.22364

>  <Cat> (337)
S5905

>  <Name> (337)
Suberohydroxamic acid

>  <Synonyms> (337)
suberic bishydroxamic acid

>  <Target> (337)
HDAC

>  <Form> (337)
Free Base

>  <CAS> (337)
38937-66-5

>  <URL> (337)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/06042015232D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2211    4.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    3.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    5.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    6.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115    6.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2247    1.3947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8783    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (338)
365

>  <Formula> (338)
C7H5NO4

>  <MolWeight> (338)
167.1189

>  <Cat> (338)
S5906

>  <Name> (338)
2,4-Pyridinedicarboxylic acid

>  <Synonyms> (338)
Lutidinic Acid; 2,4-Dicarboxypyridine; 2,4-PDCA

>  <Target> (338)
Others

>  <Form> (338)
Free Base

>  <CAS> (338)
499-80-9

>  <URL> (338)
http://www.selleckchem.com/products/pyridinedicarboxylic-acid.html

$$$$

csChFnd80/06042015232D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.1775    2.9624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3899    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6618    1.2790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6024    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (339)
366

>  <Formula> (339)
C10H15N3O4

>  <MolWeight> (339)
241.2438

>  <Cat> (339)
S5907

>  <Name> (339)
5-Methyl-2'-deoxycytidine

>  <Synonyms> (339)
5-Methyldeoxycytidine, 5MedCyd

>  <Target> (339)
Others

>  <Form> (339)
Free Base

>  <CAS> (339)
838-07-3

>  <URL> (339)
http://www.selleckchem.com/products/5-methyl-2-deoxycytidine.html

$$$$

csChFnd80/06042015232D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8480    7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    7.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    9.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    9.2219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    5.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2325    4.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872    2.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626   11.3119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488    4.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    7.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0582    1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6198    3.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3745    2.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933    5.9853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708    2.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    7.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    7.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    5.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4965    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  7  1  1  0  0  0  0
  6  2  1  0  0  0  0
 13  2  1  0  0  0  0
  4  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 10  5  2  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 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
 24 19  1  0  0  0  0
 23 20  2  0  0  0  0
 25 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (340)
367

>  <Formula> (340)
C21H16N2O2S

>  <MolWeight> (340)
360.42894

>  <Cat> (340)
S5913

>  <Name> (340)
Cambinol

>  <Synonyms> (340)
N/A

>  <Target> (340)
TNF-alpha

>  <Form> (340)
Free Base

>  <CAS> (340)
14513-15-6

>  <URL> (340)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/06042015232D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.7999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2117    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2808    2.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6184    3.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1301    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4301    5.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0276    5.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376    4.8771    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
 17 20  1  0  0  0  0
  4 17  1  0  0  0  0
M  END
>  <Mol_ID> (341)
368

>  <Formula> (341)
C19H21BrN2O3S

>  <MolWeight> (341)
437.35064

>  <Cat> (341)
S5914

>  <Name> (341)
AK 7

>  <Synonyms> (341)
N/A

>  <Target> (341)
Sirtuin

>  <Form> (341)
Free Base

>  <CAS> (341)
420831-40-9

>  <URL> (341)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/06042015232D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6455    6.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    7.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    8.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    7.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    4.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 25 26  1  0  0  0  0
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 13 28  1  0  0  0  0
 16 29  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (342)
369

>  <Formula> (342)
C22H26N4O3

>  <MolWeight> (342)
394.46684

>  <Cat> (342)
S5916

>  <Name> (342)
GSK 5959

>  <Synonyms> (342)
N/A

>  <Target> (342)
Epigenetic Reader Do

>  <Form> (342)
Free Base

>  <CAS> (342)
901245-65-6

>  <URL> (342)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

csChFnd80/06042015232D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
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 19 22  1  0  0  0  0
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M  END
>  <Mol_ID> (343)
370

>  <Formula> (343)
C22H23N5O2

>  <MolWeight> (343)
389.45032

>  <Cat> (343)
S5917

>  <Name> (343)
Solcitinib

>  <Synonyms> (343)
GLPG0778, GSK2586184

>  <Target> (343)
JAK

>  <Form> (343)
Free Base

>  <CAS> (343)
1206163-45-2

>  <URL> (343)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/06042015232D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
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M  END
>  <Mol_ID> (344)
371

>  <Formula> (344)
C22H15FN4O2S

>  <MolWeight> (344)
418.4435032

>  <Cat> (344)
S5918

>  <Name> (344)
CAY10602

>  <Synonyms> (344)
N/A

>  <Target> (344)
Sirtuin

>  <Form> (344)
Free Base

>  <CAS> (344)
374922-43-7

>  <URL> (344)
http://www.selleckchem.com/products/cay10602.html

$$$$

csChFnd80/06042015232D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (345)
373

>  <Formula> (345)
C17H13ClNO5P

>  <MolWeight> (345)
377.715581

>  <Cat> (345)
S8409

>  <Name> (345)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (345)
N/A

>  <Target> (345)
Epigenetic Reader Do

>  <Form> (345)
Free Base

>  <CAS> (345)
18228-17-6

>  <URL> (345)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/06042015232D

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  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (346)
374

>  <Formula> (346)
C16H15FN4O

>  <MolWeight> (346)
298.3149032

>  <Cat> (346)
S8592

>  <Name> (346)
Pamiparib (BGB-290)

>  <Synonyms> (346)
N/A

>  <Target> (346)
PARP

>  <Form> (346)
Free Base

>  <CAS> (346)
1446261-44-4

>  <URL> (346)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/06042015232D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
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  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
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M  END
>  <Mol_ID> (347)
375

>  <Formula> (347)
C24H18ClN3O3

>  <MolWeight> (347)
431.87102

>  <Cat> (347)
S8654

>  <Name> (347)
ex229 (compound 991)

>  <Synonyms> (347)
N/A

>  <Target> (347)
AMPK

>  <Form> (347)
Free Base

>  <CAS> (347)
1219739-36-2

>  <URL> (347)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/06042015232D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    6.3000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 10  1  0  0  0  0
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 13 35  1  0  0  0  0
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M  END
>  <Mol_ID> (348)
376

>  <Formula> (348)
C34H48N4O4

>  <MolWeight> (348)
576.76932

>  <Cat> (348)
S8702

>  <Name> (348)
EBI-2511

>  <Synonyms> (348)
N/A

>  <Target> (348)
EZH1/2

>  <Form> (348)
Free Base

>  <CAS> (348)
2098546-05-3

>  <URL> (348)
http://www.selleckchem.com/products/ebi-2511.html

$$$$

csChFnd80/06042015232D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  6 11  2  0  0  0  0
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 18 27  2  0  0  0  0
 18 28  2  0  0  0  0
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M  END
>  <Mol_ID> (349)
377

>  <Formula> (349)
C20H21N3O5S

>  <MolWeight> (349)
415.46284

>  <Cat> (349)
S8714

>  <Name> (349)
INCB057643

>  <Synonyms> (349)
N/A

>  <Target> (349)
Epigenetic Reader Do

>  <Form> (349)
Free Base

>  <CAS> (349)
1820889-23-3

>  <URL> (349)
http://www.selleckchem.com/products/incb057643.html

$$$$

csChFnd80/06042015232D

 36 39  0  0  0  0  0  0  0  0999 V2000
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Epigenetic Reader Do

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Free Base

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2138861-99-9

>  <URL> (350)
http://www.selleckchem.com/products/abbv-744.html

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csChFnd80/06042015232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (351)
379

>  <Formula> (351)
C18H18FN5O2S

>  <MolWeight> (351)
387.4312232

>  <Cat> (351)
S8727

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Atuveciclib (BAY-1143572)

>  <Synonyms> (351)
N/A

>  <Target> (351)
CDK

>  <Form> (351)
Free Base

>  <CAS> (351)
1414943-88-6

>  <URL> (351)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

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csChFnd80/06042015232D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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380

>  <Formula> (352)
C22H18N4

>  <MolWeight> (352)
338.40512

>  <Cat> (352)
S8749

>  <Name> (352)
MBQ-167

>  <Synonyms> (352)
N/A

>  <Target> (352)
Rho

>  <Form> (352)
Free Base

>  <CAS> (352)
2097938-73-1

>  <URL> (352)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (353)
381

>  <Formula> (353)
C16H16N4O2

>  <MolWeight> (353)
296.32384

>  <Cat> (353)
S8763

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ZL0420

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N/A

>  <Target> (353)
Epigenetic Reader Do

>  <Form> (353)
Free Base

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2229039-45-4

>  <URL> (353)
http://www.selleckchem.com/products/zl0420.html

$$$$

csChFnd80/06042015232D

 27 31  0  0  0  0  0  0  0  0999 V2000
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382

>  <Formula> (354)
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>  <MolWeight> (354)
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>  <Cat> (354)
S8771

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>  <Synonyms> (354)
N/A

>  <Target> (354)
HIF

>  <Form> (354)
Free Base

>  <CAS> (354)
1429054-28-3

>  <URL> (354)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (355)
383

>  <Formula> (355)
C38H46O8

>  <MolWeight> (355)
630.76704

>  <Cat> (355)
S9031

>  <Name> (355)
Gambogenic acid

>  <Form> (355)
free base

>  <CAS> (355)
173932-75-7

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (356)
384

>  <Formula> (356)
C21H20O6

>  <MolWeight> (356)
368.3799

>  <Cat> (356)
S9080

>  <Name> (356)
Anhydroicaritin

>  <Form> (356)
free base

>  <CAS> (356)
118525-40-9

$$$$
S9100 Fraxinellone.cdx
csChFnd80/06042015232D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (357)
385

>  <Formula> (357)
C14H16O3

>  <MolWeight> (357)
232.27504

>  <Cat> (357)
S9100

>  <Name> (357)
Fraxinellone

>  <Form> (357)
free base

>  <CAS> (357)
28808-62-0

$$$$

csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.5543    4.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (358)
386

>  <Formula> (358)
C20H28O5

>  <MolWeight> (358)
348.43332

>  <Cat> (358)
S9101

>  <Name> (358)
Ingenol

>  <Form> (358)
free base

>  <CAS> (358)
30220-46-3

$$$$
S9162 Rubimaillin.cdx
csChFnd80/06042015232D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13 20  2  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (359)
387

>  <Formula> (359)
C17H16O4

>  <MolWeight> (359)
284.30654

>  <Cat> (359)
S9162

>  <Name> (359)
Rubimaillin

>  <CAS> (359)
55481-88-4

$$$$
S9204 Oroxylin A.cdx
csChFnd80/06042015232D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8591    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    4.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2497    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2497    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    4.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    5.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8941    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8941    5.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (360)
388

>  <Formula> (360)
C16H12O5

>  <MolWeight> (360)
284.26348

>  <Cat> (360)
S9204

>  <Name> (360)
Oroxylin A

>  <Form> (360)
free base

>  <CAS> (360)
480-11-5

$$$$
S9275 Isoguanosine.cdx
csChFnd80/06042015232D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7082    2.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8307    4.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    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  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (361)
389

>  <Formula> (361)
C10H13N5O5

>  <MolWeight> (361)
283.24072

>  <Cat> (361)
S9275

>  <Name> (361)
Isoguanosine

>  <Form> (361)
free base

>  <CAS> (361)
1818-71-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/06042015232D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    9.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.4997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248   11.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   10.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0001    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3869    3.7734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8218    2.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3869    6.0266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9566    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210    6.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    6.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0965    2.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 21 29  1  1  0  0  0
 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (362)
390

>  <Formula> (362)
C17H26O11

>  <MolWeight> (362)
406.38174

>  <Cat> (362)
S9307

>  <Name> (362)
Shanzhiside methyl ester

>  <Form> (362)
free base

>  <CAS> (362)
64421-28-9

$$$$
S9024 AKBA.cdx
csChFnd80/06042015232D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.2032    5.0691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4151    4.3630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9859    4.3630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2032    6.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6322    5.0531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4151    2.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151    5.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9859    2.9508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7740    5.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0017    5.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151    7.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0333    7.1504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6322    6.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8494    4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6164    3.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740    2.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5568    4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8494    7.1821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0613    5.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    2.9508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4261    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1640    0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    6.4813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8494    8.5943    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3869    2.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3852    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246    0.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2785    7.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    9.3002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6797    9.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    2.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2785    8.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613   10.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    4.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    3.8834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0017    1.6966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8653    6.0280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 38  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  6  0  0  0
  6 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 16  1  0  0  0  0
  8 39  1  6  0  0  0
  9 18  1  0  0  0  0
 11 13  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  6  0  0  0
 18 21  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 40  1  1  0  0  0
 20 24  1  0  0  0  0
 21 26  1  6  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  1  0  0  0
 25 31  1  0  0  0  0
 25 32  1  1  0  0  0
 26 33  1  0  0  0  0
 29 34  1  0  0  0  0
 31 35  1  6  0  0  0
 31 34  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (363)
391

>  <Formula> (363)
C32H48O5

>  <MolWeight> (363)
512.72052

>  <Cat> (363)
S9024

>  <Name> (363)
AKBA

>  <CAS> (363)
67416-61-9

$$$$
S9379 Dihydrocoumarin.cdx
csChFnd80/06042015232D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4327    0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    2.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    2.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (364)
392

>  <Formula> (364)
C9H8O2

>  <MolWeight> (364)
148.15862

>  <Cat> (364)
S9379

>  <Name> (364)
Dihydrocoumarin

>  <Form> (364)
free base

>  <CAS> (364)
119-84-6

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 24 14  1  0  0  0  0
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M  END
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393

>  <Formula> (365)
C20H21N3O2

>  <MolWeight> (365)
335.39964

>  <Cat> (365)
S8049

>  <Name> (365)
Tubastatin A

>  <Target> (365)
others

>  <CAS> (365)
1252003-15-8

>  <URL> (365)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/06042015232D

 10  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  5  1  0  0  0  0
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M  END
>  <Mol_ID> (366)
395

>  <Formula> (366)
C6H11NOS2

>  <MolWeight> (366)
177.28764

>  <Cat> (366)
S5771

>  <Name> (366)
sulforaphane

>  <Synonyms> (366)
N/A

>  <Target> (366)
Nrf2

>  <Form> (366)
Free Base

>  <CAS> (366)
4478-93-7

>  <URL> (366)
http://www.selleckchem.com/products/sulforaphane.html

$$$$

csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (367)
396

>  <Formula> (367)
C17H13N3O2

>  <MolWeight> (367)
291.30402

>  <Cat> (367)
S5772

>  <Name> (367)
AS-8351

>  <Synonyms> (367)
N/A

>  <Target> (367)
Histone Demethylase

>  <Form> (367)
Free Base

>  <CAS> (367)
796-42-9

>  <URL> (367)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/06042015232D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
>  <Mol_ID> (368)
397

>  <Formula> (368)
C11H15BrN2O

>  <MolWeight> (368)
271.1536

>  <Cat> (368)
S5810

>  <Name> (368)
UF010

>  <Synonyms> (368)
N/A

>  <Target> (368)
HDAC

>  <Form> (368)
Free Base

>  <CAS> (368)
537672-41-6 

>  <URL> (368)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/06042015232D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (369)
398

>  <Formula> (369)
C15H16N2O2

>  <MolWeight> (369)
256.29974

>  <Cat> (369)
S8773

>  <Name> (369)
TH34

>  <Synonyms> (369)
N/A

>  <Target> (369)
HDAC

>  <Form> (369)
Free Base

>  <CAS> (369)
2196203-96-8

>  <URL> (369)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/06042015232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 14  1  0  0  0  0
 17 21  1  0  0  0  0
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 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (370)
399

>  <Formula> (370)
C18H13F2N3O3S

>  <MolWeight> (370)
389.3759264

>  <Cat> (370)
S8776

>  <Name> (370)
WM-1119

>  <Synonyms> (370)
N/A

>  <Target> (370)
Histone Acetyltransf

>  <Form> (370)
Free Base

>  <CAS> (370)
2055397-28-7

>  <URL> (370)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/06042015232D

 33 37  0  0  0  0  0  0  0  0999 V2000
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   16.0509    3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (371)
400

>  <Formula> (371)
C27H19ClN2O3

>  <MolWeight> (371)
454.90436

>  <Cat> (371)
S8803

>  <Name> (371)
MK-3903

>  <Synonyms> (371)
N/A

>  <Target> (371)
AMPK

>  <Form> (371)
Free Base

>  <CAS> (371)
1219737-12-8

>  <URL> (371)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/06042015232D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (372)
401

>  <Formula> (372)
C10H10O2

>  <MolWeight> (372)
162.1852

>  <Cat> (372)
S6221

>  <Name> (372)
Methyl cinnamate

>  <Synonyms> (372)
N/A

>  <Target> (372)
Others

>  <Form> (372)
free base

>  <CAS> (372)
103-26-4

>  <URL> (372)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/06042015232D

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M  END
>  <Mol_ID> (373)
402

>  <Formula> (373)
C38H37ClN8O7S

>  <MolWeight> (373)
785.26778

>  <Cat> (373)
S8296

>  <Name> (373)
dBET1

>  <Synonyms> (373)
N/A

>  <Target> (373)
Epigenetic Reader Do

>  <Form> (373)
free base

>  <CAS> (373)
1799711-21-9

>  <URL> (373)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/06042015232D

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free base

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JAK

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free base

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1622902-68-4

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  9  9  0  0  0  0  0  0  0  0999 V2000
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405

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C5H7N3O

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N/A

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free base

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554-01-8

>  <URL> (376)
http://www.selleck.cn/products/5-methylcytosine.html

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406

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C21H19ClNO4+

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384.83286

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S1292

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Chelerythrine Chloride

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N/A

>  <Target> (377)
PKC

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Chloride

>  <CAS> (377)
3895-92-9

>  <URL> (377)
http://www.selleck.cn/products/Chelerythrine-chloride.html

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C18H20FN3O4

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Ofloxacin

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DL8280

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Topoisomerase

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Free Base

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82419-36-1

>  <URL> (378)
http://www.selleck.cn/products/Ofloxacin(Floxin).html

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compound 3i (666-15)

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>  <Mol_ID> (383)
412

>  <Formula> (383)
C23H19NO3

>  <MolWeight> (383)
357.40186

>  <Cat> (383)
S6424

>  <Name> (383)
TAS-301

>  <Synonyms> (383)
N/A

>  <Target> (383)
Others

>  <Form> (383)
Free Base

>  <CAS> (383)
193620-69-8

>  <URL> (383)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/06042015232D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (384)
413

>  <Formula> (384)
C17H18F2N2O

>  <MolWeight> (384)
304.3344264

>  <Cat> (384)
S2132

>  <Name> (384)
SR4370

>  <Synonyms> (384)
N/A

>  <Target> (384)
HDAC

>  <Form> (384)
Free Base

>  <CAS> (384)
1816294-67-3

>  <URL> (384)
http://www.selleck.cn/products/sr4370.html

$$$$

csChFnd80/06042015232D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (385)
415

>  <Formula> (385)
C31H39N7O2

>  <MolWeight> (385)
541.68706

>  <Cat> (385)
S7164

>  <Name> (385)
GSK343

>  <Synonyms> (385)
N/A

>  <Target> (385)
Histone Methyltransf

>  <Form> (385)
Free Base

>  <CAS> (385)
1346704-33-3

>  <URL> (385)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/06042015232D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (386)
416

>  <Formula> (386)
C19H18N4O3

>  <MolWeight> (386)
350.37122

>  <Cat> (386)
S8684

>  <Name> (386)
Selective JAK3 inhibitor 1

>  <Synonyms> (386)
N/A

>  <Target> (386)
JAK

>  <Form> (386)
Free Base

>  <CAS> (386)
1443235-95-7

>  <URL> (386)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/06042015232D

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>  <Mol_ID> (387)
417

>  <Formula> (387)
C26H22N4O3

>  <MolWeight> (387)
438.47788

>  <Cat> (387)
S8739

>  <Name> (387)
PLX51107

>  <Synonyms> (387)
N/A

>  <Target> (387)
Epigenetic Reader Do

>  <Form> (387)
Free Base

>  <CAS> (387)
1627929-55-8

>  <URL> (387)
http://www.selleck.cn/products/plx51107.html

$$$$

csChFnd80/06042015232D

 26 30  0  0  0  0  0  0  0  0999 V2000
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N/A

>  <Target> (388)
Epigenetic Reader Do

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Free Base

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1628607-64-6

>  <URL> (388)
http://www.selleck.cn/products/incb054329.html

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419

>  <Formula> (389)
C19H28Cl2N4O2

>  <MolWeight> (389)
415.35722

>  <Cat> (389)
S8769

>  <Name> (389)
Tinostamustine(EDO-S101)

>  <Synonyms> (389)
N/A

>  <Target> (389)
HDAC

>  <Form> (389)
Free Base

>  <CAS> (389)
1236199-60-2

>  <URL> (389)
http://www.selleck.cn/products/tinostamustine.html

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csChFnd80/06042015232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (390)
420

>  <Formula> (390)
C14H14ClFN8

>  <MolWeight> (390)
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>  <Cat> (390)
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>  <Name> (390)
AZD1480

>  <Synonyms> (390)
N/A

>  <Target> (390)
JAK

>  <Form> (390)
free base

>  <CAS> (390)
935666-88-9

>  <URL> (390)
http://www.selleck.cn/products/AZD1480.html

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csChFnd80/06042015232D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (391)
421

>  <Formula> (391)
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>  <MolWeight> (391)
263.31222

>  <Cat> (391)
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>  <Name> (391)
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>  <Synonyms> (391)
N/A

>  <Target> (391)
Pim

>  <Form> (391)
free base

>  <CAS> (391)
587852-28-6

>  <URL> (391)
http://www.selleck.cn/products/smi-16a.html

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csChFnd80/06042015232D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (392)
422

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C16H15N3O2

>  <MolWeight> (392)
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N/A

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JAK

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>  <CAS> (392)
21561-09-1

>  <URL> (392)
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 26 28  0  0  0  0  0  0  0  0999 V2000
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    2.7677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5050    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7174    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    3.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7174    3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5050    3.9622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    4.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273    3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5677    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
  4 14  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
  1 20  1  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (393)
423

>  <Formula> (393)
C23H24N2O

>  <MolWeight> (393)
344.44946

>  <Cat> (393)
S6524

>  <Name> (393)
NSC 42834

>  <Synonyms> (393)
JAK2 Inhibitor V

>  <Target> (393)
JAK

>  <Form> (393)
free base

>  <CAS> (393)
195371-52-9

>  <URL> (393)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/06042015232D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    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
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    0.0000    4.9000    0.0000 C   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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (394)
424

>  <Formula> (394)
C20H25F3N6O3

>  <MolWeight> (394)
454.4461096

>  <Cat> (394)
S6577

>  <Name> (394)
PKC-theta inhibitor

>  <Synonyms> (394)
N/A

>  <Target> (394)
PKC

>  <Form> (394)
free base

>  <CAS> (394)
736048-65-0

>  <URL> (394)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/06042015232D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.8531    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1028    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5277    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    6.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9277    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7735    5.6538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (395)
425

>  <Formula> (395)
C18H23ClN4O

>  <MolWeight> (395)
346.85442

>  <Cat> (395)
S8438

>  <Name> (395)
T-3775440 HCl

>  <Synonyms> (395)
N/A

>  <Target> (395)
Histone Demethylase

>  <Form> (395)
HCl

>  <CAS> (395)
1422535-52-1

>  <URL> (395)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/06042015232D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 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
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
M  END
>  <Mol_ID> (396)
426

>  <Formula> (396)
C21H24N4O4

>  <MolWeight> (396)
396.43966

>  <Cat> (396)
S8743

>  <Name> (396)
SKLB-23bb

>  <Synonyms> (396)
N/A

>  <Target> (396)
HDAC

>  <Form> (396)
free base

>  <CAS> (396)
1815580-06-3

>  <URL> (396)
http://www.selleck.cn/products/sklb-23bb.html

$$$$

csChFnd80/06042015232D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8002    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
    6.0623    2.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3002    0.0000 O   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
   10.9118    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8002    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
  6  7  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 13  1  0  0  0  0
  8 13  2  0  0  0  0
  6  8  1  0  0  0  0
  9 14  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 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 11 15  1  0  0  0  0
  5  6  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (397)
427

>  <Formula> (397)
C14H11ClN2O4

>  <MolWeight> (397)
306.70114

>  <Cat> (397)
S6490

>  <Name> (397)
Vadadustat

>  <Synonyms> (397)
AKB-6548, B-506, PG-1016548

>  <Target> (397)
HIF

>  <Form> (397)
Free Base

>  <CAS> (397)
1000025-07-9

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 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (402)
432

>  <Formula> (402)
C25H19N5OS2

>  <MolWeight> (402)
469.58126

>  <Cat> (402)
S6744

>  <Name> (402)
Inauhzin

>  <Synonyms> (402)
N/A

>  <Target> (402)
Sirtuin

>  <Form> (402)
Free Base

>  <CAS> (402)
309271-94-1

>  <URL> (402)
http://www.selleck.cn/products/inauhzin.html

$$$$

csChFnd80/06042015232D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (403)
433

>  <Formula> (403)
C25H26N2O5

>  <MolWeight> (403)
434.48434

>  <Cat> (403)
S6745

>  <Name> (403)
JW55

>  <Synonyms> (403)
N/A

>  <Target> (403)
Wnt/beta-catenin

>  <Form> (403)
Free Base

>  <CAS> (403)
664993-53-7

>  <URL> (403)
http://www.selleck.cn/products/jw55.html

$$$$

csChFnd80/06042015232D

 34 37  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 11  5  1  0  0  0  0
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  3 16  1  0  0  0  0
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 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (404)
434

>  <Formula> (404)
C27H36N2O5

>  <MolWeight> (404)
468.58514

>  <Cat> (404)
S6758

>  <Name> (404)
I-CBP112

>  <Synonyms> (404)
N/A

>  <Target> (404)
Epigenetic Reader Do

>  <Form> (404)
Free Base

>  <CAS> (404)
1640282-31-0

>  <URL> (404)
http://www.selleck.cn/products/i-cbp112.html

$$$$

csChFnd80/06042015232D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (405)
435

>  <Formula> (405)
C21H25N3O4

>  <MolWeight> (405)
383.4409

>  <Cat> (405)
S2184

>  <Name> (405)
WDR5-0103

>  <Synonyms> (405)
WD-Repeat Protein 5-0103

>  <Target> (405)
Histone Methyltransferase

>  <Form> (405)
Free Base

>  <CAS> (405)
890190-22-4

>  <URL> (405)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/06042015232D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  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 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (406)
436

>  <Formula> (406)
C18H37NO2

>  <MolWeight> (406)
299.49188

>  <Cat> (406)
S2210

>  <Name> (406)
Sphingosine

>  <Synonyms> (406)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (406)
Others

>  <Form> (406)
Free Base

>  <CAS> (406)
123-78-4

>  <URL> (406)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/06042015232D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.8543    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> (407)
437

>  <Formula> (407)
C11H15ClN2O5

>  <MolWeight> (407)
290.7002

>  <Cat> (407)
S2935

>  <Name> (407)
Nicotinamide Riboside Chloride

>  <Synonyms> (407)
N/A

>  <Target> (407)
Others

>  <Form> (407)
Chloride

>  <CAS> (407)
23111-00-4

>  <URL> (407)
http://www.selleck.cn/products/nicotinamide-riboside-chloride.html

$$$$

csChFnd80/06042015232D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
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 12 13  1  0  0  0  0
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 11 12  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
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  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (408)
438

>  <Formula> (408)
C19H23N3O2

>  <MolWeight> (408)
325.40482

>  <Cat> (408)
S6548

>  <Name> (408)
NKL 22

>  <Synonyms> (408)
N/A

>  <Target> (408)
HDAC

>  <Form> (408)
Free Base

>  <CAS> (408)
537034-15-4

>  <URL> (408)
http://www.selleck.cn/products/nkl-22.html

$$$$

csChFnd80/06042015232D

 25 25  0  0  0  0  0  0  0  0999 V2000
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   15.5601    2.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
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  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (409)
439

>  <Formula> (409)
C21H38N2OS

>  <MolWeight> (409)
366.60422

>  <Cat> (409)
S6687

>  <Name> (409)
SIS17

>  <Synonyms> (409)
N/A

>  <Target> (409)
HDAC

>  <Form> (409)
Free Base

>  <CAS> (409)
2374313-54-7

>  <URL> (409)
http://www.selleck.cn/products/sis17.html

$$$$

csChFnd80/06042015232D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (410)
440

>  <Formula> (410)
C28H38N4O3

>  <MolWeight> (410)
478.62632

>  <Cat> (410)
S8812

>  <Name> (410)
CM272(CM-272)

>  <Synonyms> (410)
N/A

>  <Target> (410)
DNA Methyltransferase

>  <Form> (410)
Free Base

>  <CAS> (410)
1846570-31-7

>  <URL> (410)
http://www.selleck.cn/products/cm272-cm-272.html

$$$$

csChFnd80/06042015232D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (411)
441

>  <Formula> (411)
C16H13N3

>  <MolWeight> (411)
247.29452

>  <Cat> (411)
S8909

>  <Name> (411)
UBCS039

>  <Synonyms> (411)
N/A

>  <Target> (411)
Sirtuin

>  <Form> (411)
Free Base

>  <CAS> (411)
358721-70-7

>  <URL> (411)
http://www.selleck.cn/products/ubcs039.html

$$$$

csChFnd80/06042015232D

 51 56  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (412)
442

>  <Formula> (412)
C33H40O18

>  <MolWeight> (412)
724.6599

>  <Cat> (412)
S9096

>  <Name> (412)
ligustroflavone

>  <Synonyms> (412)
Nuezhenoside

>  <Target> (412)
AMPK

>  <Form> (412)
Free Base

>  <CAS> (412)
260413-62-5

>  <URL> (412)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/06042015232D

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M  END
>  <Mol_ID> (413)
443

>  <Formula> (413)
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>  <MolWeight> (413)
328.32594

>  <Cat> (413)
S6684

>  <Name> (413)
IOX4

>  <Synonyms> (413)
N/A

>  <Target> (413)
HIF

>  <Form> (413)
Free Base

>  <CAS> (413)
1154097-71-8

>  <URL> (413)
http://www.selleck.cn/products/iox4.html

$$$$
WAY-312666
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (414)
444

>  <Formula> (414)
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>  <MolWeight> (414)
442.31628

>  <Cat> (414)
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>  <Name> (414)
WAY-312666

>  <Synonyms> (414)
N/A

>  <Target> (414)
SIRT3

>  <Form> (414)
free base

>  <CAS> (414)
472980-46-4

>  <URL> (414)
N/A

$$$$
WAY-311318
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (415)
445

>  <Formula> (415)
C26H24N2O3

>  <MolWeight> (415)
412.48036

>  <Cat> (415)
P3591

>  <Name> (415)
WAY-311318

>  <Synonyms> (415)
N/A

>  <Target> (415)
HIF prolyl hydroxylasem,IN-LEDGF/p75 inter

>  <Form> (415)
free base

>  <CAS> (415)
333314-79-7

>  <URL> (415)
N/A

$$$$
WAY-312461
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (416)
446

>  <Formula> (416)
C25H22N2O4

>  <MolWeight> (416)
414.45318

>  <Cat> (416)
P3593

>  <Name> (416)
WAY-312461

>  <Synonyms> (416)
N/A

>  <Target> (416)
Wnt/b-catenin, KDM4 histone demethylases a

>  <Form> (416)
free base

>  <CAS> (416)
420827-50-5

>  <URL> (416)
N/A

$$$$
WAY-311581
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (417)
447

>  <Formula> (417)
C23H25N3O4

>  <MolWeight> (417)
407.4623

>  <Cat> (417)
P3592

>  <Name> (417)
WAY-311581

>  <Synonyms> (417)
N/A

>  <Target> (417)
SIRT3

>  <Form> (417)
free base

>  <CAS> (417)
332125-86-7

>  <URL> (417)
N/A

$$$$
WAY-310766
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (418)
448

>  <Formula> (418)
C17H28N6O2

>  <MolWeight> (418)
348.44322

>  <Cat> (418)
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>  <Name> (418)
WAY-310766

>  <Synonyms> (418)
N/A

>  <Target> (418)
PKC¦Â,PARP-1

>  <Form> (418)
free base

>  <CAS> (418)
442864-84-8

>  <URL> (418)
N/A

$$$$
WAY-118959-A
csChFnd80/06042015232D

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>  <Mol_ID> (419)
449

>  <Formula> (419)
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>  <MolWeight> (419)
342.43856

>  <Cat> (419)
P3545

>  <Name> (419)
WAY-118959-A

>  <Synonyms> (419)
N/A

>  <Target> (419)
others

>  <Form> (419)
free base

>  <CAS> (419)
315703-81-2

>  <URL> (419)
N/A

$$$$
WAY-249486
csChFnd80/06042015232D

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>  <Mol_ID> (420)
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WAY-249486

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N/A

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HDAC

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free base

>  <CAS> (420)
119730-10-8

>  <URL> (420)
N/A

$$$$
WAY-296712
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (421)
451

>  <Formula> (421)
C12H10N2O2

>  <MolWeight> (421)
214.22

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P3560

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WAY-296712

>  <Synonyms> (421)
N/A

>  <Target> (421)
histone deacetylase

>  <Form> (421)
free base

>  <CAS> (421)
88530-99-8

>  <URL> (421)
N/A

$$$$
WAY-297285
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (422)
452

>  <Formula> (422)
C19H23N3O3S

>  <MolWeight> (422)
373.46922

>  <Cat> (422)
P3561

>  <Name> (422)
WAY-297285

>  <Synonyms> (422)
N/A

>  <Target> (422)
others

>  <Form> (422)
free base

>  <CAS> (422)
314043-73-7

>  <URL> (422)
N/A

$$$$
WAY-297357
csChFnd80/06042015232D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (423)
453

>  <Formula> (423)
C22H19N3O5

>  <MolWeight> (423)
405.40336

>  <Cat> (423)
P3562

>  <Name> (423)
WAY-297357

>  <Synonyms> (423)
N/A

>  <Target> (423)
SIRT1

>  <Form> (423)
free base

>  <CAS> (423)
312943-99-0

>  <URL> (423)
N/A

$$$$
CL-406156
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (424)
454

>  <Formula> (424)
C19H22N2O2

>  <MolWeight> (424)
310.39018

>  <Cat> (424)
P3540

>  <Name> (424)
CL-406156

>  <Synonyms> (424)
N/A

>  <Target> (424)
DNA Methyltransferase 1

>  <Form> (424)
free base

>  <CAS> (424)
91324-16-2

>  <URL> (424)
N/A

$$$$
WAY-234636
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (425)
455

>  <Formula> (425)
C16H12N4O2

>  <MolWeight> (425)
292.29208

>  <Cat> (425)
P3547

>  <Name> (425)
WAY-234636

>  <Synonyms> (425)
N/A

>  <Target> (425)
Androgen Receptor

>  <Form> (425)
free base

>  <CAS> (425)
55589-09-8

>  <URL> (425)
N/A

$$$$
WAY-298378
csChFnd80/06042015232D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (426)
456

>  <Formula> (426)
C12H12N2O3S

>  <MolWeight> (426)
264.30028

>  <Cat> (426)
P3563

>  <Name> (426)
WAY-298378

>  <Synonyms> (426)
N/A

>  <Target> (426)
AMPK

>  <Form> (426)
free base

>  <CAS> (426)
335398-80-6

>  <URL> (426)
N/A

$$$$
WAY-298477
csChFnd80/06042015232D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
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  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  4  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
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 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 18  2  0  0  0  0
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 29 24  1  0  0  0  0
 30 10  1  0  0  0  0
 31 11  1  0  0  0  0
 32 29  1  0  0  0  0
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 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (427)
457

>  <Formula> (427)
C23H22N4O5

>  <MolWeight> (427)
434.44458

>  <Cat> (427)
P3564

>  <Name> (427)
WAY-298477

>  <Synonyms> (427)
N/A

>  <Target> (427)
PKC-b II and PKB dual 

>  <Form> (427)
free base

>  <CAS> (427)
1353673-63-8

>  <URL> (427)
N/A

$$$$
WAY-298851
csChFnd80/06042015232D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (428)
458

>  <Formula> (428)
C15H9ClO3

>  <MolWeight> (428)
272.68316

>  <Cat> (428)
P3565

>  <Name> (428)
WAY-298851

>  <Synonyms> (428)
N/A

>  <Target> (428)
Pim-1,Anti-infection

>  <Form> (428)
free base

>  <CAS> (428)
53391-72-3

>  <URL> (428)
N/A

$$$$
WAY-299178
csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (429)
459

>  <Formula> (429)
C18H19N3O

>  <MolWeight> (429)
293.36296

>  <Cat> (429)
P3566

>  <Name> (429)
WAY-299178

>  <Synonyms> (429)
N/A

>  <Target> (429)
HDAC

>  <Form> (429)
free base

>  <CAS> (429)
1031349-21-9

>  <URL> (429)
N/A

$$$$
WAY-299510
csChFnd80/06042015232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (430)
460

>  <Formula> (430)
C16H17N5O2

>  <MolWeight> (430)
311.33848

>  <Cat> (430)
P3567

>  <Name> (430)
WAY-299510

>  <Synonyms> (430)
N/A

>  <Target> (430)
Anti-infection,STAT3

>  <Form> (430)
free base

>  <CAS> (430)
1007998-55-1

>  <URL> (430)
N/A

$$$$
WAY-325090
csChFnd80/06042015232D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 18  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
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 23 11  1  0  0  0  0
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 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
  9  5  2  0  0  0  0
 21 19  1  0  0  0  0
 11 10  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (431)
461

>  <Formula> (431)
C19H15N3O2S2

>  <MolWeight> (431)
381.4713

>  <Cat> (431)
P3617

>  <Name> (431)
WAY-325090

>  <Synonyms> (431)
N/A

>  <Target> (431)
microRNA

>  <Form> (431)
free base

>  <CAS> (431)
1008280-11-2

>  <URL> (431)
N/A

$$$$
CL-414715
csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7960    0.4386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7960    1.9714    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2621   -0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    2.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768    1.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (432)
462

>  <Formula> (432)
C15H15N3O4

>  <MolWeight> (432)
301.2973

>  <Cat> (432)
P3541

>  <Name> (432)
CL-414715

>  <Synonyms> (432)
N/A

>  <Target> (432)
EZH2

>  <Form> (432)
free base

>  <CAS> (432)
107392-68-7

>  <URL> (432)
N/A

$$$$
CL-418030
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0426   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7460   -2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6728    2.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880    2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730    3.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    3.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  2  0  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3  4  1  0  0  0  0
 15 18  1  0  0  0  0
  1  9  2  0  0  0  0
 18 19  1  0  0  0  0
  9  6  1  0  0  0  0
 18 20  2  0  0  0  0
  4  5  2  0  0  0  0
 19 21  2  0  0  0  0
  4 10  1  0  0  0  0
 21 22  1  0  0  0  0
  5  1  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (433)
463

>  <Formula> (433)
C19H20N4OS

>  <MolWeight> (433)
352.4533

>  <Cat> (433)
P3542

>  <Name> (433)
CL-418030

>  <Synonyms> (433)
N/A

>  <Target> (433)
MLL protein and menin interaction,P2Y12 re

>  <Form> (433)
free base

>  <CAS> (433)
1093748-54-9

>  <URL> (433)
N/A

$$$$
GI-558744
csChFnd80/06042015232D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    0.6550   -1.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450   -2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7450   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7554    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    2.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347   -2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8239   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653    1.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7550   -1.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826    0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (434)
464

>  <Formula> (434)
C14H9NO3

>  <MolWeight> (434)
239.22616

>  <Cat> (434)
P3543

>  <Name> (434)
GI-558744

>  <Synonyms> (434)
N/A

>  <Target> (434)
HIF PHD,Anti-infection

>  <Form> (434)
free base

>  <CAS> (434)
1164452-80-5

>  <URL> (434)
N/A

$$$$
WAY-223539
csChFnd80/06042015232D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -0.5686    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4141    1.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    2.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -1.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445   -0.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -2.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5410    0.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -0.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1486   -1.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 17 19  1  0  0  0  0
  6  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (435)
465

>  <Formula> (435)
C14H15NO4

>  <MolWeight> (435)
261.2732

>  <Cat> (435)
P3546

>  <Name> (435)
WAY-223539

>  <Synonyms> (435)
N/A

>  <Target> (435)
BRD4

>  <Form> (435)
free base

>  <CAS> (435)
13729-79-8

>  <URL> (435)
N/A

$$$$
WAY-299582
csChFnd80/06042015232D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1722    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795    0.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722   -0.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4795    1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    1.1795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (436)
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>  <Name> (436)
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>  <Synonyms> (436)
N/A

>  <Target> (436)
KDM5A

>  <Form> (436)
free base

>  <CAS> (436)
118121-89-4

>  <URL> (436)
N/A

$$$$
WAY-299727
csChFnd80/06042015232D

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>  <Mol_ID> (437)
467

>  <Formula> (437)
C18H15N3O3S

>  <MolWeight> (437)
353.395

>  <Cat> (437)
P3569

>  <Name> (437)
WAY-299727

>  <Synonyms> (437)
N/A

>  <Target> (437)
histone deacetylase

>  <Form> (437)
free base

>  <CAS> (437)
332169-78-5

>  <URL> (437)
N/A

$$$$
WAY-299788
csChFnd80/06042015232D

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 16 18  1  0  0  0  0
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 18 20  1  0  0  0  0
  5  7  2  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (438)
468

>  <Formula> (438)
C12H18N6O2

>  <MolWeight> (438)
278.31032

>  <Cat> (438)
P3570

>  <Name> (438)
WAY-299788

>  <Synonyms> (438)
N/A

>  <Target> (438)
PARP

>  <Form> (438)
free base

>  <CAS> (438)
50693-74-8

>  <URL> (438)
N/A

$$$$
WAY-299838
csChFnd80/06042015232D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8176    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (439)
469

>  <Formula> (439)
C18H19IN2O2

>  <MolWeight> (439)
422.26013

>  <Cat> (439)
P3571

>  <Name> (439)
WAY-299838

>  <Synonyms> (439)
N/A

>  <Target> (439)
HIF-1 

>  <Form> (439)
free base

>  <CAS> (439)
333357-56-5

>  <URL> (439)
N/A

$$$$
WAY-300386
csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (440)
470

>  <Formula> (440)
C18H19N3O

>  <MolWeight> (440)
293.36296

>  <Cat> (440)
P3572

>  <Name> (440)
WAY-300386

>  <Synonyms> (440)
N/A

>  <Target> (440)
HDAC8,matrix metalloprotease,Anti-infectio

>  <Form> (440)
free base

>  <CAS> (440)
125009-81-6

>  <URL> (440)
N/A

$$$$
WAY-300488
csChFnd80/06042015232D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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 12  9  2  0  0  0  0
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 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (441)
471

>  <Formula> (441)
C11H12N2S

>  <MolWeight> (441)
204.29138

>  <Cat> (441)
P3573

>  <Name> (441)
WAY-300488

>  <Synonyms> (441)
N/A

>  <Target> (441)
Sirtuin,Nrf2,glucokinase,antiviral

>  <Form> (441)
free base

>  <CAS> (441)
299953-94-9

>  <URL> (441)
N/A

$$$$
WAY-300662
csChFnd80/06042015232D

 27 30  0  0  0  0  0  0  0  0999 V2000
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472

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P3574

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N/A

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Aurora Kinase

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free base

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327051-69-4

>  <URL> (442)
N/A

$$$$
WAY-300856
csChFnd80/06042015232D

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473

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C22H19N3OS

>  <MolWeight> (443)
373.47076

>  <Cat> (443)
P3575

>  <Name> (443)
WAY-300856

>  <Synonyms> (443)
N/A

>  <Target> (443)
Sirtuin,NRF2,p97

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free base

>  <CAS> (443)
129544-85-0

>  <URL> (443)
N/A

$$$$
WAY-389228
csChFnd80/06042015232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (444)
474

>  <Formula> (444)
C18H18N2O3

>  <MolWeight> (444)
310.34712

>  <Cat> (444)
P3638

>  <Name> (444)
WAY-389228

>  <Synonyms> (444)
N/A

>  <Target> (444)
others

>  <Form> (444)
free base

>  <CAS> (444)
300860-39-3

>  <URL> (444)
N/A

$$$$
WAY-389891
csChFnd80/06042015232D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (445)
475

>  <Formula> (445)
C22H23ClFN3O3

>  <MolWeight> (445)
431.8877232

>  <Cat> (445)
P3639

>  <Name> (445)
WAY-389891

>  <Synonyms> (445)
N/A

>  <Target> (445)
Rtt109

>  <Form> (445)
free base

>  <CAS> (445)
327091-55-4

>  <URL> (445)
N/A

$$$$
WAY-302914
csChFnd80/06042015232D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (446)
476

>  <Formula> (446)
C22H25N3O2

>  <MolWeight> (446)
363.4528

>  <Cat> (446)
P3576

>  <Name> (446)
WAY-302914

>  <Synonyms> (446)
N/A

>  <Target> (446)
others

>  <Form> (446)
free base

>  <CAS> (446)
313378-68-6

>  <URL> (446)
N/A

$$$$
WAY-303376
csChFnd80/06042015232D

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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (447)
477

>  <Formula> (447)
C23H23N5O2

>  <MolWeight> (447)
401.46102

>  <Cat> (447)
P3577

>  <Name> (447)
WAY-303376

>  <Synonyms> (447)
N/A

>  <Target> (447)
EZH2

>  <Form> (447)
free base

>  <CAS> (447)
500270-56-4

>  <URL> (447)
N/A

$$$$
WAY-303382
csChFnd80/06042015232D

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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
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 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
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  7  9  1  0  0  0  0
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 19 20  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (448)
478

>  <Formula> (448)
C19H21N5O

>  <MolWeight> (448)
335.40294

>  <Cat> (448)
P3578

>  <Name> (448)
WAY-303382

>  <Synonyms> (448)
N/A

>  <Target> (448)
STAT

>  <Form> (448)
free base

>  <CAS> (448)
487035-73-4

>  <URL> (448)
N/A

$$$$
WAY-303388
csChFnd80/06042015232D

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  2  5  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
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 15  7  2  0  0  0  0
 16 14  2  0  0  0  0
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 22 18  2  0  0  0  0
  8  7  1  0  0  0  0
 12 13  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (449)
479

>  <Formula> (449)
C14H12N4O4

>  <MolWeight> (449)
300.26948

>  <Cat> (449)
P3579

>  <Name> (449)
WAY-303388

>  <Synonyms> (449)
N/A

>  <Target> (449)
EZH2

>  <Form> (449)
free base

>  <CAS> (449)
499210-92-3

>  <URL> (449)
N/A

$$$$
WAY-304388
csChFnd80/06042015232D

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 25  7  1  0  0  0  0
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 25 12  1  0  0  0  0
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 13  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 10 12  2  0  0  0  0
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M  END
>  <Mol_ID> (450)
480

>  <Formula> (450)
C21H17N3O

>  <MolWeight> (450)
327.37918

>  <Cat> (450)
P3580

>  <Name> (450)
WAY-304388

>  <Synonyms> (450)
N/A

>  <Target> (450)
sirtuin,histone acetyl transferase

>  <Form> (450)
free base

>  <CAS> (450)
305357-89-5

>  <URL> (450)
N/A

$$$$
WAY-304405
csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (451)
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WAY-304405

>  <Synonyms> (451)
N/A

>  <Target> (451)
STAT,Plasmodium falciparum Equilibrative N

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free base

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1351505-59-3

>  <URL> (451)
N/A

$$$$
WAY-304544
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (452)
482

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C15H16N2O3

>  <MolWeight> (452)
272.29914

>  <Cat> (452)
P3582

>  <Name> (452)
WAY-304544

>  <Synonyms> (452)
N/A

>  <Target> (452)
sirtuin

>  <Form> (452)
free base

>  <CAS> (452)
347362-65-6

>  <URL> (452)
N/A

$$$$
WAY-304671
csChFnd80/06042015232D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (453)
483

>  <Formula> (453)
C16H9ClN2OS2

>  <MolWeight> (453)
344.83846

>  <Cat> (453)
P3583

>  <Name> (453)
WAY-304671

>  <Synonyms> (453)
N/A

>  <Target> (453)
SMYD3

>  <Form> (453)
free base

>  <CAS> (453)
330837-95-1

>  <URL> (453)
N/A

$$$$
WAY-305238
csChFnd80/06042015232D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (454)
484

>  <Formula> (454)
C18H19N3O4S

>  <MolWeight> (454)
373.42616

>  <Cat> (454)
P3584

>  <Name> (454)
WAY-305238

>  <Synonyms> (454)
N/A

>  <Target> (454)
parp1

>  <Form> (454)
free base

>  <CAS> (454)
442648-52-4

>  <URL> (454)
N/A

$$$$
WAY-305341
csChFnd80/06042015232D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (455)
485

>  <Formula> (455)
C15H15N3O3S

>  <MolWeight> (455)
317.3629

>  <Cat> (455)
P3585

>  <Name> (455)
WAY-305341

>  <Synonyms> (455)
N/A

>  <Target> (455)
HDAC

>  <Form> (455)
free base

>  <CAS> (455)
353781-42-7

>  <URL> (455)
N/A

$$$$
WAY-383515
csChFnd80/06042015232D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (456)
486

>  <Formula> (456)
C17H18N2O3S

>  <MolWeight> (456)
330.40142

>  <Cat> (456)
P3636

>  <Name> (456)
WAY-383515

>  <Synonyms> (456)
N/A

>  <Target> (456)
BRD4

>  <Form> (456)
free base

>  <CAS> (456)
304685-40-3

>  <URL> (456)
N/A

$$$$
WAY-305857
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (457)
487

>  <Formula> (457)
C15H24N6O2

>  <MolWeight> (457)
320.39006

>  <Cat> (457)
P3586

>  <Name> (457)
WAY-305857

>  <Synonyms> (457)
N/A

>  <Target> (457)
PKC¦Â, PARP-1 

>  <Form> (457)
free base

>  <CAS> (457)
313471-52-2

>  <URL> (457)
N/A

$$$$
WAY-324197
csChFnd80/06042015232D

 24 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
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 13  5  1  0  0  0  0
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 18 16  2  0  0  0  0
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M  END
>  <Mol_ID> (458)
488

>  <Formula> (458)
C21H22N2O

>  <MolWeight> (458)
318.41218

>  <Cat> (458)
P3613

>  <Name> (458)
WAY-324197

>  <Synonyms> (458)
N/A

>  <Target> (458)
SIRT2

>  <Form> (458)
free base

>  <CAS> (458)
1005095-06-6

>  <URL> (458)
N/A

$$$$
WAY-385602
csChFnd80/06042015232D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
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 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
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 18  5  1  0  0  0  0
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M  END
>  <Mol_ID> (459)
489

>  <Formula> (459)
C20H19ClFN3O3

>  <MolWeight> (459)
403.8345632

>  <Cat> (459)
P3637

>  <Name> (459)
WAY-385602

>  <Synonyms> (459)
N/A

>  <Target> (459)
fungal histone acetyltransferase Rtt109

>  <Form> (459)
free base

>  <CAS> (459)
722478-59-3

>  <URL> (459)
N/A

$$$$
WL-164379
csChFnd80/06042015232D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (460)
490

>  <Formula> (460)
C19H21N3OS2

>  <MolWeight> (460)
371.51954

>  <Cat> (460)
P3676

>  <Name> (460)
WL-164379

>  <Synonyms> (460)
N/A

>  <Target> (460)
STAT3

>  <Form> (460)
free base

>  <CAS> (460)
311762-65-9

>  <URL> (460)
N/A

$$$$
WAY-308264
csChFnd80/06042015232D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (461)
491

>  <Formula> (461)
C14H14N4O2S

>  <MolWeight> (461)
302.35156

>  <Cat> (461)
P3587

>  <Name> (461)
WAY-308264

>  <Synonyms> (461)
N/A

>  <Target> (461)
histone acetyltransferase

>  <Form> (461)
free base

>  <CAS> (461)
364624-08-8

>  <URL> (461)
N/A

$$$$
WAY-309060
csChFnd80/06042015232D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (462)
492

>  <Formula> (462)
C13H14N2O4

>  <MolWeight> (462)
262.26126

>  <Cat> (462)
P3588

>  <Name> (462)
WAY-309060

>  <Synonyms> (462)
N/A

>  <Target> (462)
BRD4

>  <Form> (462)
free base

>  <CAS> (462)
309951-18-6

>  <URL> (462)
N/A

$$$$
WAY-309229-A
csChFnd80/06042015232D

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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (463)
493

>  <Formula> (463)
C14H13N3OS

>  <MolWeight> (463)
271.33752

>  <Cat> (463)
P3589

>  <Name> (463)
WAY-309229-A

>  <Synonyms> (463)
N/A

>  <Target> (463)
EGFR

>  <Form> (463)
free base

>  <CAS> (463)
799800-65-0

>  <URL> (463)
N/A

$$$$
WAY-352571
csChFnd80/06042015232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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 10  7  1  0  0  0  0
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 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  1  0  0  0  0
 18 21  2  0  0  0  0
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 20  7  2  0  0  0  0
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  4  2  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (464)
494

>  <Formula> (464)
C19H17N3O4S2

>  <MolWeight> (464)
415.48598

>  <Cat> (464)
P3628

>  <Name> (464)
WAY-352571

>  <Synonyms> (464)
N/A

>  <Target> (464)
DNA methyltransferase 3A,hsp90

>  <Form> (464)
free base

>  <CAS> (464)
505054-90-0

>  <URL> (464)
N/A

$$$$
WAY-353519
csChFnd80/06042015232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  7 11  1  0  0  0  0
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 10  5  1  0  0  0  0
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 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
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 21  9  2  0  0  0  0
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 27 28  1  0  0  0  0
  9 10  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (465)
495

>  <Formula> (465)
C20H21N3O3S2

>  <MolWeight> (465)
415.52904

>  <Cat> (465)
P3629

>  <Name> (465)
WAY-353519

>  <Synonyms> (465)
N/A

>  <Target> (465)
sirtuin

>  <Form> (465)
free base

>  <CAS> (465)
690247-68-8

>  <URL> (465)
N/A

$$$$
WAY-354574
csChFnd80/06042015232D

 27 29  0  0  0  0  0  0  0  0999 V2000
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SIRT2

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free base

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851873-40-0

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N/A

$$$$
WAY-354875
csChFnd80/06042015232D

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N/A

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SIRT1

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free base

>  <CAS> (467)
720672-18-4

>  <URL> (467)
N/A

$$$$
WAY-359061
csChFnd80/06042015232D

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WAY-359061

>  <Synonyms> (468)
N/A

>  <Target> (468)
microRNA

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free base

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307509-59-7

>  <URL> (468)
N/A

$$$$
WAY-380064-A
csChFnd80/06042015232D

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>  <Synonyms> (469)
N/A

>  <Target> (469)
PRMT5

>  <Form> (469)
free base

>  <CAS> (469)
380192-76-7

>  <URL> (469)
N/A

$$$$
WAY-382052
csChFnd80/06042015232D

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500

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WAY-382052

>  <Synonyms> (470)
N/A

>  <Target> (470)
microRNA

>  <Form> (470)
free base

>  <CAS> (470)
536713-36-7

>  <URL> (470)
N/A

$$$$
WAY-616361
csChFnd80/06042015232D

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WAY-616361

>  <Synonyms> (471)
N/A

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ARTD3,PARP-1

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free base

>  <CAS> (471)
730949-09-4

>  <URL> (471)
N/A

$$$$
WL-231219
csChFnd80/06042015232D

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N/A

$$$$
WAY-623944
csChFnd80/06042015232D

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microRNA

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free base

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438599-31-6

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N/A

$$$$
WAY-643116
csChFnd80/06042015232D

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N/A

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microRNA

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free base

>  <CAS> (474)
850020-01-8

>  <URL> (474)
N/A

$$$$
WAY-334681-A
csChFnd80/06042015232D

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505

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>  <MolWeight> (475)
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>  <Cat> (475)
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WAY-334681-A

>  <Synonyms> (475)
N/A

>  <Target> (475)
STAT3

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free base

>  <CAS> (475)
736950-05-3

>  <URL> (475)
N/A

$$$$
WAY-334725
csChFnd80/06042015232D

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N/A

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microRNA

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free base

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742116-35-4

>  <URL> (476)
N/A

$$$$
WAY-625138
csChFnd80/06042015232D

 29 31  0  0  0  0  0  0  0  0999 V2000
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microRNA

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free base

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756865-61-9

>  <URL> (477)
N/A

$$$$
WAY-273429
csChFnd80/06042015232D

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508

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C11H8BrN5

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290.11872

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WAY-273429

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N/A

>  <Target> (478)
AMPK

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free base

>  <CAS> (478)
525607-71-0

>  <URL> (478)
N/A

$$$$
WAY-273431
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (479)
509

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>  <Synonyms> (479)
N/A

>  <Target> (479)
AMPK

>  <Form> (479)
free base

>  <CAS> (479)
525608-36-0

>  <URL> (479)
N/A

$$$$
WAY-277306
csChFnd80/06042015232D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (480)
510

>  <Formula> (480)
C19H15N5

>  <MolWeight> (480)
313.3559

>  <Cat> (480)
P3559

>  <Name> (480)
WAY-277306

>  <Synonyms> (480)
N/A

>  <Target> (480)
EZH2

>  <Form> (480)
free base

>  <CAS> (480)
763096-21-5

>  <URL> (480)
N/A

$$$$
WAY-335492
csChFnd80/06042015232D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (481)
511

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>  <MolWeight> (481)
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>  <Cat> (481)
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>  <Name> (481)
WAY-335492

>  <Synonyms> (481)
N/A

>  <Target> (481)
microRNA

>  <Form> (481)
free base

>  <CAS> (481)
786725-13-1

>  <URL> (481)
N/A

$$$$
WAY-629450-A
csChFnd80/06042015232D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  9 12  1  0  0  0  0
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M  END
>  <Mol_ID> (482)
512

>  <Formula> (482)
C16H17NO

>  <MolWeight> (482)
239.31228

>  <Cat> (482)
P3659

>  <Name> (482)
WAY-629450-A

>  <Synonyms> (482)
N/A

>  <Target> (482)
HDAC

>  <Form> (482)
free base

>  <CAS> (482)
851901-67-2

>  <URL> (482)
N/A

$$$$
CL-224747
csChFnd80/06042015232D

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  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
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (483)
513

>  <Formula> (483)
C9H8N2O

>  <MolWeight> (483)
160.17262

>  <Cat> (483)
P3539

>  <Name> (483)
CL-224747

>  <Synonyms> (483)
N/A

>  <Target> (483)
PARP

>  <Form> (483)
free base

>  <CAS> (483)
802981-45-9

>  <URL> (483)
N/A

$$$$
WAY-339491
csChFnd80/06042015232D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4375    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  5  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  2  0  0  0  0
 23 21  2  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
  4  6  1  0  0  0  0
 13 25  2  0  0  0  0
 28 24  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (484)
514

>  <Formula> (484)
C21H17N3O3S

>  <MolWeight> (484)
391.44298

>  <Cat> (484)
P3624

>  <Name> (484)
WAY-339491

>  <Synonyms> (484)
N/A

>  <Target> (484)
histone acetyl transferase,sirtuin

>  <Form> (484)
free base

>  <CAS> (484)
863589-21-3

>  <URL> (484)
N/A

$$$$
WAY-339495
csChFnd80/06042015232D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7250    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  4  2  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  2  0  0  0  0
 22 19  2  0  0  0  0
 23 11  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 27 18  1  0  0  0  0
 28 21  1  0  0  0  0
  6  8  1  0  0  0  0
 13 25  2  0  0  0  0
 28 23  2  0  0  0  0
 24 15  1  0  0  0  0
M  END
>  <Mol_ID> (485)
515

>  <Formula> (485)
C21H17N3O3S

>  <MolWeight> (485)
391.44298

>  <Cat> (485)
P3625

>  <Name> (485)
WAY-339495

>  <Synonyms> (485)
N/A

>  <Target> (485)
histone acetyl transferase,sirtuin

>  <Form> (485)
free base

>  <CAS> (485)
863589-28-0

>  <URL> (485)
N/A

$$$$
WAY-339500
csChFnd80/06042015232D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   11.4506    7.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7274    6.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7112    8.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5334    8.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  8  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 16 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
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 21 22  2  0  0  0  0
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 26 21  1  0  0  0  0
 25 11  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (486)
516

>  <Formula> (486)
C21H17N3O3S

>  <MolWeight> (486)
391.44298

>  <Cat> (486)
P3626

>  <Name> (486)
WAY-339500

>  <Synonyms> (486)
N/A

>  <Target> (486)
histone acetyl transferase,sirtuin

>  <Form> (486)
free base

>  <CAS> (486)
863589-44-0

>  <URL> (486)
N/A

$$$$
WAY-339503
csChFnd80/06042015232D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 12  8  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
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 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19  6  2  0  0  0  0
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 22 10  1  0  0  0  0
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M  END
>  <Mol_ID> (487)
517

>  <Formula> (487)
C20H15N3O2S

>  <MolWeight> (487)
361.417

>  <Cat> (487)
P3627

>  <Name> (487)
WAY-339503

>  <Synonyms> (487)
N/A

>  <Target> (487)
histone acetyl transferase,sirtuin

>  <Form> (487)
free base

>  <CAS> (487)
863589-52-0

>  <URL> (487)
N/A

$$$$
WAY-613308
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (488)
518

>  <Formula> (488)
C18H14O4

>  <MolWeight> (488)
294.30136

>  <Cat> (488)
P3651

>  <Name> (488)
WAY-613308

>  <Synonyms> (488)
N/A

>  <Target> (488)
HDAC

>  <Form> (488)
free base

>  <CAS> (488)
503040-22-0

>  <URL> (488)
N/A

$$$$
WAY-613419
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (489)
519

>  <Formula> (489)
C9H8N2OS

>  <MolWeight> (489)
192.23762

>  <Cat> (489)
P3652

>  <Name> (489)
WAY-613419

>  <Synonyms> (489)
N/A

>  <Target> (489)
Anti-infection,PARP,Adenosine Receptor

>  <Form> (489)
free base

>  <CAS> (489)
14346-25-9

>  <URL> (489)
N/A

$$$$
WAY-630921
csChFnd80/06042015232D

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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (490)
520

>  <Formula> (490)
C19H19N3O2

>  <MolWeight> (490)
321.37306

>  <Cat> (490)
P3660

>  <Name> (490)
WAY-630921

>  <Synonyms> (490)
N/A

>  <Target> (490)
PARP

>  <Form> (490)
free base

>  <CAS> (490)
743451-47-0

>  <URL> (490)
N/A

$$$$
WAY-631668
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (491)
521

>  <Formula> (491)
C27H26N4O2

>  <MolWeight> (491)
438.52094

>  <Cat> (491)
P3661

>  <Name> (491)
WAY-631668

>  <Synonyms> (491)
N/A

>  <Target> (491)
DOT1L

>  <Form> (491)
free base

>  <CAS> (491)
736189-79-0

>  <URL> (491)
N/A

$$$$
WAY-631878
csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (492)
522

>  <Formula> (492)
C15H16N4O3

>  <MolWeight> (492)
300.31254

>  <Cat> (492)
P3662

>  <Name> (492)
WAY-631878

>  <Synonyms> (492)
N/A

>  <Target> (492)
BET

>  <Form> (492)
free base

>  <CAS> (492)
568567-43-1

>  <URL> (492)
N/A

$$$$
WAY-650876
csChFnd80/06042015232D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -1.7583   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
  6  4  2  0  0  0  0
  9  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (493)
523

>  <Formula> (493)
C13H11N3O3S

>  <MolWeight> (493)
289.30974

>  <Cat> (493)
P3670

>  <Name> (493)
WAY-650876

>  <Synonyms> (493)
N/A

>  <Target> (493)
HDAC6

>  <Form> (493)
free base

>  <CAS> (493)
848065-95-2

>  <URL> (493)
N/A

$$$$
WAY-270360
csChFnd80/06042015232D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2542    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8625    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4792    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 16  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 10  2  0  0  0  0
 19  6  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  2  0  0  0  0
  7  8  2  0  0  0  0
 16 20  1  0  0  0  0
 28 27  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (494)
524

>  <Formula> (494)
C22H19N3O3

>  <MolWeight> (494)
373.40456

>  <Cat> (494)
P3549

>  <Name> (494)
WAY-270360

>  <Synonyms> (494)
N/A

>  <Target> (494)
histone acetyl transferase,sirtuin

>  <Form> (494)
free base

>  <CAS> (494)
476633-98-4

>  <URL> (494)
N/A

$$$$
WAY-270374
csChFnd80/06042015232D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.1042    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1708    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7958    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
  6  2  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (495)
525

>  <Formula> (495)
C15H14F2N2O3S

>  <MolWeight> (495)
340.3450664

>  <Cat> (495)
P3550

>  <Name> (495)
WAY-270374

>  <Synonyms> (495)
N/A

>  <Target> (495)
microRNA

>  <Form> (495)
free base

>  <CAS> (495)
476643-66-0

>  <URL> (495)
N/A

$$$$
WAY-270603
csChFnd80/06042015232D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.4125    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7333    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1333    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0333    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7500    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 23  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 24  2  0  0  0  0
 10  9  2  0  0  0  0
 22 18  2  0  0  0  0
 29 30  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (496)
526

>  <Formula> (496)
C23H21N3O4

>  <MolWeight> (496)
403.43054

>  <Cat> (496)
P3552

>  <Name> (496)
WAY-270603

>  <Synonyms> (496)
N/A

>  <Target> (496)
glucose transporter PfHT,HAT,sirtuin

>  <Form> (496)
free base

>  <CAS> (496)
303141-65-3

>  <URL> (496)
N/A

$$$$
WAY-601310
csChFnd80/06042015232D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.1436    0.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5134   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704    0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4576    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -1.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 15 11  2  0  0  0  0
 14 10  2  0  0  0  0
 13  9  1  0  0  0  0
  6 12  2  0  0  0  0
 11  5  1  0  0  0  0
 10  5  1  0  0  0  0
  9  4  2  0  0  0  0
  3  8  2  0  0  0  0
  7  3  1  0  0  0  0
  6  2  1  0  0  0  0
  5  2  2  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (497)
527

>  <Formula> (497)
C11H9N3O

>  <MolWeight> (497)
199.20866

>  <Cat> (497)
P3643

>  <Name> (497)
WAY-601310

>  <Synonyms> (497)
N/A

>  <Target> (497)
PARP

>  <Form> (497)
free base

>  <CAS> (497)
25468-50-2

>  <URL> (497)
N/A

$$$$
WAY-601411
csChFnd80/06042015232D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9792    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4625    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
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 17  6  2  0  0  0  0
 18  2  1  0  0  0  0
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 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
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 31 29  1  0  0  0  0
  5  4  2  0  0  0  0
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 31 30  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (498)
528

>  <Formula> (498)
C23H26N4O4

>  <MolWeight> (498)
422.47694

>  <Cat> (498)
P3644

>  <Name> (498)
WAY-601411

>  <Synonyms> (498)
N/A

>  <Target> (498)
HAT,sirtuin

>  <Form> (498)
free base

>  <CAS> (498)
717120-17-7

>  <URL> (498)
N/A

$$$$
WAY-601037-A
csChFnd80/06042015232D

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  7 15  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19  9  1  0  0  0  0
 20 19  1  0  0  0  0
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 23 18  1  0  0  0  0
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 25 24  1  0  0  0  0
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M  END
>  <Mol_ID> (499)
529

>  <Formula> (499)
C22H26N2O

>  <MolWeight> (499)
334.45464

>  <Cat> (499)
P3641

>  <Name> (499)
WAY-601037

>  <Synonyms> (499)
N/A

>  <Target> (499)
DNA Methyltransferase 1

>  <Form> (499)
free base

>  <CAS> (499)
300590-63-0

>  <URL> (499)
N/A

$$$$
WAY-601116
csChFnd80/06042015232D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  8  4  1  0  0  0  0
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 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 17  2  0  0  0  0
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 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
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 29 27  2  0  0  0  0
  6  5  1  0  0  0  0
 28 20  2  0  0  0  0
 25 19  2  0  0  0  0
 29 26  1  0  0  0  0
M  END
>  <Mol_ID> (500)
530

>  <Formula> (500)
C23H18N2O4

>  <MolWeight> (500)
386.40002

>  <Cat> (500)
P3642

>  <Name> (500)
WAY-601116

>  <Synonyms> (500)
N/A

>  <Target> (500)
microRNA

>  <Form> (500)
free base

>  <CAS> (500)
353763-50-5

>  <URL> (500)
N/A

$$$$
WAY-601673
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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  7 11  1  0  0  0  0
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 12 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (501)
531

>  <Formula> (501)
C20H26ClN3O

>  <MolWeight> (501)
359.89294

>  <Cat> (501)
P3645

>  <Name> (501)
WAY-601673

>  <Synonyms> (501)
N/A

>  <Target> (501)
HIF PHD,Prolylhydroxylase

>  <Form> (501)
free base

>  <CAS> (501)
380192-95-0

>  <URL> (501)
N/A

$$$$
WAY-615693
csChFnd80/06042015232D

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 11  8  2  0  0  0  0
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 13 10  1  0  0  0  0
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 19  6  1  0  0  0  0
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 16 10  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (502)
532

>  <Formula> (502)
C21H24N4S

>  <MolWeight> (502)
364.50706

>  <Cat> (502)
P3653

>  <Name> (502)
WAY-615693

>  <Synonyms> (502)
N/A

>  <Target> (502)
MLL protein and menin interaction

>  <Form> (502)
free base

>  <CAS> (502)
568575-51-9

>  <URL> (502)
N/A

$$$$
WAY-632889
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11 10  2  0  0  0  0
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 13 17  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  2  0  0  0  0
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 22  5  1  0  0  0  0
 23 14  1  0  0  0  0
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 25 24  1  0  0  0  0
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 12  8  2  0  0  0  0
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M  END
>  <Mol_ID> (503)
533

>  <Formula> (503)
C18H11BrN2O4

>  <MolWeight> (503)
399.19494

>  <Cat> (503)
P3663

>  <Name> (503)
WAY-632889

>  <Synonyms> (503)
N/A

>  <Target> (503)
microRNA

>  <Form> (503)
free base

>  <CAS> (503)
784169-89-7

>  <URL> (503)
N/A

$$$$
WAY-633558
csChFnd80/06042015232D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  4  2  1  0  0  0  0
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  8  5  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  7  4  2  0  0  0  0
  5 16  1  0  0  0  0
 12  9  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (504)
534

>  <Formula> (504)
C15H15N5S

>  <MolWeight> (504)
297.3781

>  <Cat> (504)
P3664

>  <Name> (504)
WAY-633558

>  <Synonyms> (504)
N/A

>  <Target> (504)
MLL protein and menin interaction

>  <Form> (504)
free base

>  <CAS> (504)
786715-29-5

>  <URL> (504)
N/A

$$$$
WAY-652291
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
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 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
  7 10  1  0  0  0  0
  4  6  1  0  0  0  0
 11 12  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (505)
535

>  <Formula> (505)
C18H17N3O4

>  <MolWeight> (505)
339.34528

>  <Cat> (505)
P3671

>  <Name> (505)
WAY-652291

>  <Synonyms> (505)
N/A

>  <Target> (505)
BET Bromodomain

>  <Form> (505)
free base

>  <CAS> (505)
854137-39-6

>  <URL> (505)
N/A

$$$$
WAY-652941
csChFnd80/06042015232D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
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 22  9  1  0  0  0  0
 23  7  1  0  0  0  0
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 25 22  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
 19 21  1  0  0  0  0
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 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (506)
536

>  <Formula> (506)
C19H20N4O4S

>  <MolWeight> (506)
400.4515

>  <Cat> (506)
P3672

>  <Name> (506)
WAY-652941

>  <Synonyms> (506)
N/A

>  <Target> (506)
PARP,Rac1

>  <Form> (506)
free base

>  <CAS> (506)
854022-49-4

>  <URL> (506)
N/A

$$$$
WAY-271933
csChFnd80/06042015232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.3667   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 20  2  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  1  0  0  0  0
 21 16  2  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (507)
537

>  <Formula> (507)
C15H15N5O2S

>  <MolWeight> (507)
329.3769

>  <Cat> (507)
P3553

>  <Name> (507)
WAY-271933

>  <Synonyms> (507)
N/A

>  <Target> (507)
DOT1L

>  <Form> (507)
free base

>  <CAS> (507)
612525-79-8

>  <URL> (507)
N/A

$$$$
WAY-272124
csChFnd80/06042015232D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.4917    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21  6  2  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  3  5  1  0  0  0  0
 16 17  2  0  0  0  0
 19 28  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (508)
538

>  <Formula> (508)
C24H23N3O4

>  <MolWeight> (508)
417.45712

>  <Cat> (508)
P3554

>  <Name> (508)
WAY-272124

>  <Synonyms> (508)
N/A

>  <Target> (508)
histone acetyl transferase,sirtuin

>  <Form> (508)
free base

>  <CAS> (508)
694469-31-3

>  <URL> (508)
N/A

$$$$
WAY-272172
csChFnd80/06042015232D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.9042    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    4.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0167    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750    6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    6.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   11.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   13.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13 18  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  4  5  1  0  0  0  0
 17 14  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (509)
539

>  <Formula> (509)
C17H18N2O3S

>  <MolWeight> (509)
330.40142

>  <Cat> (509)
P3555

>  <Name> (509)
WAY-272172

>  <Synonyms> (509)
N/A

>  <Target> (509)
microRNA

>  <Form> (509)
free base

>  <CAS> (509)
702650-31-5

>  <URL> (509)
N/A

$$$$
WAY-272277
csChFnd80/06042015232D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.5358    6.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7150    6.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9773    7.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9194    5.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3315    7.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2761    5.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5912    7.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7996    7.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4684    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6650    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2343    7.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811    8.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    8.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303    9.3211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   11.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197   10.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366   10.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   11.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481   11.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484   10.4610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9281   10.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123   10.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276   11.5358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6219   10.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479   10.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8930   10.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5061   11.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773   11.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 20 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 16 31  1  0  0  0  0
 27 15  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (510)
540

>  <Formula> (510)
C24H23N3O4

>  <MolWeight> (510)
417.45712

>  <Cat> (510)
P3556

>  <Name> (510)
WAY-272277

>  <Synonyms> (510)
N/A

>  <Target> (510)
histone acetyl transferase,sirtuin

>  <Form> (510)
free base

>  <CAS> (510)
708995-11-3

>  <URL> (510)
N/A

$$$$
WAY-320144
csChFnd80/06042015232D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3962    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4659    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    1.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    0.4140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    0.7761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142    3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763   -0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -0.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -1.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142   -2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142   -3.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -1.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038   -2.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349   -3.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 18 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (511)
541

>  <Formula> (511)
C23H21N3O4

>  <MolWeight> (511)
403.43054

>  <Cat> (511)
P3595

>  <Name> (511)
WAY-320144

>  <Synonyms> (511)
N/A

>  <Target> (511)
histone acetyl transferase,sirtuin

>  <Form> (511)
free base

>  <CAS> (511)
313275-18-2

>  <URL> (511)
N/A

$$$$
WAY-320391
csChFnd80/06042015232D

 27 31  0  0  0  0  0  0  0  0999 V2000
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 18 12  1  0  0  0  0
 19  3  2  0  0  0  0
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M  END
>  <Mol_ID> (512)
542

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C20H18ClN3O2S

>  <MolWeight> (512)
399.89382

>  <Cat> (512)
P3596

>  <Name> (512)
WAY-320391

>  <Synonyms> (512)
N/A

>  <Target> (512)
DNA Methyltransferase 1

>  <Form> (512)
free base

>  <CAS> (512)
488825-25-8

>  <URL> (512)
N/A

$$$$
WAY-601986
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
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 14 17  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (513)
543

>  <Formula> (513)
C19H14N4OS

>  <MolWeight> (513)
346.40566

>  <Cat> (513)
P3646

>  <Name> (513)
WAY-601986

>  <Synonyms> (513)
N/A

>  <Target> (513)
PARP

>  <Form> (513)
free base

>  <CAS> (513)
375394-80-2

>  <URL> (513)
N/A

$$$$
SD-57881
csChFnd80/06042015232D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
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 19  7  1  0  0  0  0
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M  END
>  <Mol_ID> (514)
544

>  <Formula> (514)
C15H13N3O3S2

>  <MolWeight> (514)
347.41202

>  <Cat> (514)
P3544

>  <Name> (514)
SD-57881

>  <Synonyms> (514)
N/A

>  <Target> (514)
zinc metalloenzyme

>  <Form> (514)
free base

>  <CAS> (514)
349415-77-6

>  <URL> (514)
N/A

$$$$
WAY-320884
csChFnd80/06042015232D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (515)
545

>  <Formula> (515)
C16H19N3O4S

>  <MolWeight> (515)
349.40476

>  <Cat> (515)
P3597

>  <Name> (515)
WAY-320884

>  <Synonyms> (515)
N/A

>  <Target> (515)
sirtuin 5

>  <Form> (515)
free base

>  <CAS> (515)
450356-20-4

>  <URL> (515)
N/A

$$$$
WAY-321539
csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (516)
546

>  <Formula> (516)
C15H15N5O2

>  <MolWeight> (516)
297.3119

>  <Cat> (516)
P3598

>  <Name> (516)
WAY-321539

>  <Synonyms> (516)
N/A

>  <Target> (516)
STAT3

>  <Form> (516)
free base

>  <CAS> (516)
332074-13-2

>  <URL> (516)
N/A

$$$$
WAY-321944
csChFnd80/06042015232D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (517)
547

>  <Formula> (517)
C17H16N2O3

>  <MolWeight> (517)
296.32054

>  <Cat> (517)
P3600

>  <Name> (517)
WAY-321944

>  <Synonyms> (517)
N/A

>  <Target> (517)
BRD4,Anti-infection

>  <Form> (517)
free base

>  <CAS> (517)
10001-31-7

>  <URL> (517)
N/A

$$$$
WAY-322593
csChFnd80/06042015232D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
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 10  4  1  0  0  0  0
  3  5  2  0  0  0  0
 17 20  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (518)
548

>  <Formula> (518)
C19H17ClN2O

>  <MolWeight> (518)
324.80408

>  <Cat> (518)
P3601

>  <Name> (518)
WAY-322593

>  <Synonyms> (518)
N/A

>  <Target> (518)
HIF PHD,apoptosis

>  <Form> (518)
free base

>  <CAS> (518)
501017-82-9

>  <URL> (518)
N/A

$$$$
WAY-322757
csChFnd80/06042015232D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 15 11  1  0  0  0  0
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 27 12  1  0  0  0  0
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 10  5  2  0  0  0  0
  8  7  1  0  0  0  0
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M  END
>  <Mol_ID> (519)
549

>  <Formula> (519)
C25H21N5O3

>  <MolWeight> (519)
439.46594

>  <Cat> (519)
P3602

>  <Name> (519)
WAY-322757

>  <Synonyms> (519)
N/A

>  <Target> (519)
MLL-menin interaction

>  <Form> (519)
free base

>  <CAS> (519)
683806-57-7

>  <URL> (519)
N/A

$$$$
WAY-323061
csChFnd80/06042015232D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (520)
550

>  <Formula> (520)
C25H21N5O2S

>  <MolWeight> (520)
455.53154

>  <Cat> (520)
P3603

>  <Name> (520)
WAY-323061

>  <Synonyms> (520)
N/A

>  <Target> (520)
SIRT2

>  <Form> (520)
free base

>  <CAS> (520)
550301-63-8

>  <URL> (520)
N/A

$$$$
WAY-323062
csChFnd80/06042015232D

 30 34  0  0  0  0  0  0  0  0999 V2000
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551

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>  <Synonyms> (521)
N/A

>  <Target> (521)
SIRT2

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free base

>  <CAS> (521)
. 522650-91-5

>  <URL> (521)
N/A

$$$$
WAY-323091
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (522)
552

>  <Formula> (522)
C22H15Cl2N3O2

>  <MolWeight> (522)
424.2794

>  <Cat> (522)
P3605

>  <Name> (522)
WAY-323091

>  <Synonyms> (522)
N/A

>  <Target> (522)
PARP

>  <Form> (522)
free base

>  <CAS> (522)
684234-55-7

>  <URL> (522)
N/A

$$$$
WAY-323092
csChFnd80/06042015232D

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>  <Mol_ID> (523)
553

>  <Formula> (523)
C22H15Cl2N3O2

>  <MolWeight> (523)
424.2794

>  <Cat> (523)
P3606

>  <Name> (523)
WAY-323092

>  <Synonyms> (523)
N/A

>  <Target> (523)
PARP

>  <Form> (523)
free base

>  <CAS> (523)
684234-56-8

>  <URL> (523)
N/A

$$$$
WAY-323093
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (524)
554

>  <Formula> (524)
C22H15BrClN3O2

>  <MolWeight> (524)
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>  <Cat> (524)
P3607

>  <Name> (524)
WAY-323093

>  <Synonyms> (524)
N/A

>  <Target> (524)
PARP

>  <Form> (524)
free base

>  <CAS> (524)
684234-57-9

>  <URL> (524)
N/A

$$$$
WAY-323096
csChFnd80/06042015232D

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   -1.9458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
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  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24  5  2  0  0  0  0
 25  6  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  6  4  1  0  0  0  0
 29 25  1  0  0  0  0
 16 19  2  0  0  0  0
 26 17  1  0  0  0  0
M  END
>  <Mol_ID> (525)
555

>  <Formula> (525)
C22H15ClFN3O2

>  <MolWeight> (525)
407.8248032

>  <Cat> (525)
P3608

>  <Name> (525)
WAY-323096

>  <Synonyms> (525)
N/A

>  <Target> (525)
PARP

>  <Form> (525)
free base

>  <CAS> (525)
684234-60-4

>  <URL> (525)
N/A

$$$$
WAY-394670
csChFnd80/06042015232D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    9.2257    6.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6700   10.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   11.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   12.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6314   11.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4906   10.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (526)
556

>  <Formula> (526)
C19H14N4OS

>  <MolWeight> (526)
346.40566

>  <Cat> (526)
P3640

>  <Name> (526)
WAY-394670

>  <Synonyms> (526)
N/A

>  <Target> (526)
PARP

>  <Form> (526)
free base

>  <CAS> (526)
378786-16-4

>  <URL> (526)
N/A

$$$$
WAY-603656
csChFnd80/06042015232D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1667    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
  5  8  2  0  0  0  0
 10  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (527)
557

>  <Formula> (527)
C11H8N2OS2

>  <MolWeight> (527)
248.32402

>  <Cat> (527)
P3648

>  <Name> (527)
WAY-603656

>  <Synonyms> (527)
N/A

>  <Target> (527)
histone acetyltransferases,Nox enzyme

>  <Form> (527)
free base

>  <CAS> (527)
717118-15-5

>  <URL> (527)
N/A

$$$$
WAY-603657
csChFnd80/06042015232D

 19 22  0  0  0  0  0  0  0  0999 V2000
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    0.4417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9292   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
  6  8  2  0  0  0  0
 10  9  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (528)
558

>  <Formula> (528)
C14H8N2OS2

>  <MolWeight> (528)
284.35612

>  <Cat> (528)
P3649

>  <Name> (528)
WAY-603657

>  <Synonyms> (528)
N/A

>  <Target> (528)
histone acetyltransferases

>  <Form> (528)
free base

>  <CAS> (528)
100527-13-7

>  <URL> (528)
N/A

$$$$
WAY-638078
csChFnd80/06042015232D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    0.7667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4792    2.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  2  0  0  0  0
 23 17  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (529)
559

>  <Formula> (529)
C20H22N4O2

>  <MolWeight> (529)
350.41428

>  <Cat> (529)
P3665

>  <Name> (529)
WAY-638078

>  <Synonyms> (529)
N/A

>  <Target> (529)
PARP

>  <Form> (529)
free base

>  <CAS> (529)
794562-86-0

>  <URL> (529)
N/A

$$$$
WAY-655845
csChFnd80/06042015232D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    0.4167    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
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  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
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free base

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865267-78-3

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N/A

$$$$
WAY-657361
csChFnd80/06042015232D

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M  END
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561

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WAY-657361

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N/A

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BET Bromodomain

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free base

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852957-78-9

>  <URL> (531)
N/A

$$$$
WAY-323744
csChFnd80/06042015232D

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562

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C20H15N3O5S

>  <MolWeight> (532)
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WAY-323744

>  <Synonyms> (532)
N/A

>  <Target> (532)
EZH2

>  <Form> (532)
free base

>  <CAS> (532)
854134-90-0

>  <URL> (532)
N/A

$$$$
WAY-324030
csChFnd80/06042015232D

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>  <Mol_ID> (533)
563

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>  <Synonyms> (533)
N/A

>  <Target> (533)
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>  <Form> (533)
free base

>  <CAS> (533)
92579-34-5

>  <URL> (533)
N/A

$$$$
WAY-324142
csChFnd80/06042015232D

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564

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C19H15N3O2S

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>  <Synonyms> (534)
N/A

>  <Target> (534)
HAT,sirtuin

>  <Form> (534)
free base

>  <CAS> (534)
667910-69-2

>  <URL> (534)
N/A

$$$$
WAY-324205
csChFnd80/06042015232D

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N/A

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WAY-324359
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PARP

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free base

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836640-15-4

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N/A

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WAY-324979
csChFnd80/06042015232D

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>  <Target> (537)
MicroRNA

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free base

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221120-57-6

>  <URL> (537)
N/A

$$$$
WAY-620473
csChFnd80/06042015232D

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PARP-1

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free base

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743451-55-0

>  <URL> (538)
N/A

$$$$
WAY-639320
csChFnd80/06042015232D

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>  <MolWeight> (539)
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N/A

>  <Target> (539)
MicroRNA

>  <Form> (539)
free base

>  <CAS> (539)
796060-12-3

>  <URL> (539)
N/A

$$$$
WAY-639432
csChFnd80/06042015232D

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N/A

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free base

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796050-78-7

>  <URL> (540)
N/A

$$$$
WAY-659224
csChFnd80/06042015232D

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M  END
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571

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302.32512

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P3675

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WAY-659224

>  <Synonyms> (541)
N/A

>  <Target> (541)
HDAC

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free base

>  <CAS> (541)
864853-56-5

>  <URL> (541)
N/A

$$$$
WAY-326107
csChFnd80/06042015232D

 25 27  0  0  0  0  0  0  0  0999 V2000
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572

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C17H16F2N4O2

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>  <Cat> (542)
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>  <Name> (542)
WAY-326107

>  <Synonyms> (542)
N/A

>  <Target> (542)
MicroRNA

>  <Form> (542)
free base

>  <CAS> (542)
869714-54-5

>  <URL> (542)
N/A

$$$$
WAY-327520
csChFnd80/06042015232D

 22 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (543)
573

>  <Formula> (543)
C17H18N4O

>  <MolWeight> (543)
294.35102

>  <Cat> (543)
P3619

>  <Name> (543)
WAY-327520

>  <Synonyms> (543)
N/A

>  <Target> (543)
BRD4-TAF1

>  <Form> (543)
free base

>  <CAS> (543)
876710-97-3

>  <URL> (543)
N/A

$$$$
WAY-608116
csChFnd80/06042015232D

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M  END
>  <Mol_ID> (544)
574

>  <Formula> (544)
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>  <MolWeight> (544)
266.321

>  <Cat> (544)
P3650

>  <Name> (544)
WAY-608116

>  <Synonyms> (544)
N/A

>  <Target> (544)
BRD4

>  <Form> (544)
free base

>  <CAS> (544)
380546-70-3

>  <URL> (544)
N/A

$$$$
WAY-621850
csChFnd80/06042015232D

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 21 23  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
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 26  6  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
  5  3  2  0  0  0  0
 26 28  2  0  0  0  0
  8 14  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (545)
575

>  <Formula> (545)
C21H21FN4O2

>  <MolWeight> (545)
380.4154432

>  <Cat> (545)
P3656

>  <Name> (545)
WAY-621850

>  <Synonyms> (545)
N/A

>  <Target> (545)
PARP

>  <Form> (545)
free base

>  <CAS> (545)
745035-11-4

>  <URL> (545)
N/A

$$$$
WAY-641015
csChFnd80/06042015232D

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    0.8250   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
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 11  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  7  4  2  0  0  0  0
  9  6  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (546)
576

>  <Formula> (546)
C16H15N3O2

>  <MolWeight> (546)
281.3092

>  <Cat> (546)
P3668

>  <Name> (546)
WAY-641015

>  <Synonyms> (546)
N/A

>  <Target> (546)
EZH2/EZH1,BasE,acetyl CoA carboxylase

>  <Form> (546)
free base

>  <CAS> (546)
851175-95-6

>  <URL> (546)
N/A

$$$$
