ABT-888(Veliparib).cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (1)
1

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>  <Name> (1)
ABT-888 (Veliparib)

>  <Synonyms> (1)
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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
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C19H25BN4O4

>  <MolWeight> (2)
384.2372

>  <Cat> (2)
S1013

>  <Name> (2)
Bortezomib (Velcade)

>  <Synonyms> (2)
MG-341, PS-341

>  <Target> (2)
Proteasome

>  <Form> (2)
Free Base

>  <CAS> (2)
179324-69-7

>  <URL> (2)
http://www.selleckchem.com/products/Bortezomib.html

$$$$
untitled.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C13H13N3O3

>  <MolWeight> (3)
259.26062

>  <Cat> (3)
S1029

>  <Name> (3)
Lenalidomide (CC-5013)

>  <Synonyms> (3)
CC-5013

>  <Target> (3)
TNF-alpha

>  <Form> (3)
Free Base

>  <CAS> (3)
191732-72-6

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

$$$$
untitled.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C21H23N3O2

>  <MolWeight> (4)
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>  <Cat> (4)
S1030

>  <Name> (4)
Panobinostat (LBH589)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
HDAC 

>  <Form> (4)
Free Base

>  <CAS> (4)
404950-80-7

>  <URL> (4)
http://www.selleckchem.com/products/LBH-589.html

$$$$
AR-42.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (5)
5

>  <Formula> (5)
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>  <MolWeight> (5)
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>  <Cat> (5)
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AR-42 (HDAC-42)

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>  <Target> (5)
HDAC 

>  <Form> (5)
Free Base

>  <CAS> (5)
935881-37-1

>  <URL> (5)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

$$$$
vorinostat.cdx
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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C14H20N2O3

>  <MolWeight> (6)
264.3202

>  <Cat> (6)
S1047

>  <Name> (6)
Vorinostat (SAHA, MK0683)

>  <Synonyms> (6)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (6)
HDAC

>  <Form> (6)
Free Base

>  <CAS> (6)
149647-78-9

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

$$$$
untitled.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C21H20N4O3

>  <MolWeight> (7)
376.4085

>  <Cat> (7)
S1053

>  <Name> (7)
Entinostat (MS-275, SNDX-275)

>  <Synonyms> (7)
SNDX-275

>  <Target> (7)
HDAC 

>  <Form> (7)
Free Base

>  <CAS> (7)
209783-80-2

>  <URL> (7)
http://www.selleckchem.com/products/MS-275.html

$$$$
AZD2281.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (8)
8

>  <Formula> (8)
C24H23FN4O3

>  <MolWeight> (8)
434.4628232

>  <Cat> (8)
S1060

>  <Name> (8)
Olaparib (AZD2281, Ku-0059436)

>  <Synonyms> (8)
KU-0059436 

>  <Target> (8)
PARP 

>  <Form> (8)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C15H14N2O4S

>  <MolWeight> (9)
318.34766

>  <Cat> (9)
S1085

>  <Name> (9)
Belinostat (PXD101)

>  <Synonyms> (9)
N/A 

>  <Target> (9)
HDAC 

>  <Form> (9)
Free Base

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

>  <URL> (9)
http://www.selleckchem.com/products/Belinostat.html

$$$$
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>  <Mol_ID> (10)
10

>  <Formula> (10)
C7H5IN2O3

>  <MolWeight> (10)
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>  <Cat> (10)
S1087

>  <Name> (10)
Iniparib (BSI-201)

>  <Synonyms> (10)
SAR240550 

>  <Target> (10)
PARP 

>  <Form> (10)
Free Base

>  <CAS> (10)
160003-66-7

>  <URL> (10)
http://www.selleckchem.com/products/BSI-201.html

$$$$
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Abexinostat (PCI-24781)

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CRA-024781

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HDAC 

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Free Base

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783355-60-2

>  <URL> (11)
http://www.selleckchem.com/products/PCI-24781.html

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csChFnd80/04022413592D

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>  <Mol_ID> (12)
12

>  <Formula> (12)
C22H25N3O3

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S1095

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LAQ824 (Dacinostat)

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NVP-LAQ824

>  <Target> (12)
HDAC 

>  <Form> (12)
Free Base

>  <CAS> (12)
404951-53-7

>  <URL> (12)
http://www.selleckchem.com/products/LAQ824(NVP-LAQ824).html

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>  <Mol_ID> (13)
13

>  <Formula> (13)
C19H21FN3O5P

>  <MolWeight> (13)
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S1098

>  <Name> (13)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Synonyms> (13)
AG-014447 

>  <Target> (13)
PARP 

>  <Form> (13)
Phosphate

>  <CAS> (13)
459868-92-9

>  <URL> (13)
http://www.selleckchem.com/products/AG-014699.html

$$$$
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14

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>  <Target> (14)
HDAC 

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Free Base

>  <CAS> (14)
726169-73-9

>  <URL> (14)
http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

$$$$
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3544-24-9

>  <URL> (15)
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   10.9010   11.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8873    8.8329    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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  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 16  1  0  0  0  0
 10 19  1  1  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 31 32  1  0  0  0  0
 30 33  2  0  0  0  0
  1 34  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 36  1  0  0  0  0
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M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C35H46FN5O9S

>  <MolWeight> (16)
731.8312432

>  <Cat> (16)
S1183

>  <Name> (16)
Danoprevir (ITMN-191)

>  <Synonyms> (16)
RG7227, ITMN-191, RO5190591

>  <Target> (16)
Proteasome, HCV Protease

>  <Form> (16)
Free Base

>  <CAS> (16)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

>  <URL> (16)
http://www.selleckchem.com/products/Danoprevir.html

$$$$
Ritonavir.cdx
csChFnd80/04022413592D

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 48 50  1  0  0  0  0
M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C37H48N6O5S2

>  <MolWeight> (17)
720.94422

>  <Cat> (17)
S1185

>  <Name> (17)
Ritonavir

>  <Synonyms> (17)
Norvir, Norvir Softgel

>  <Target> (17)
HIV Protease

>  <Form> (17)
Free Base

>  <CAS> (17)
155213-67-5

>  <URL> (17)
http://www.selleckchem.com/products/Ritonavir.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/04022413592D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C24H26N4O4

>  <MolWeight> (18)
434.48764

>  <Cat> (18)
S1194

>  <Name> (18)
CUDC-101

>  <Synonyms> (18)
N/A

>  <Target> (18)
HDAC, EGFR, HER2

>  <Form> (18)
Free Base

>  <CAS> (18)
1012054-59-9

>  <URL> (18)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
Dutasteride.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C27H30F6N2O2

>  <MolWeight> (19)
528.5297192

>  <Cat> (19)
S1202

>  <Name> (19)
Dutasteride

>  <Synonyms> (19)
Avodart

>  <Target> (19)
5-alpha Reductase

>  <Form> (19)
Free Base

>  <CAS> (19)
164656-23-9

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

$$$$
BMS-708163.cdx
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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C20H17ClF4N4O4S

>  <MolWeight> (20)
520.8849928

>  <Cat> (20)
S1262

>  <Name> (20)
BMS-708163 (Avagacestat)

>  <Synonyms> (20)
N/A 

>  <Target> (20)
Gamma-secretase

>  <Form> (20)
Free Base

>  <CAS> (20)
1146699-66-2

>  <URL> (20)
http://www.selleckchem.com/products/BMS-708163.html

$$$$
Carmofur.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (21)
21

>  <Formula> (21)
C11H16FN3O3

>  <MolWeight> (21)
257.2614432

>  <Cat> (21)
S1289

>  <Name> (21)
Carmofur

>  <Synonyms> (21)
HCFU

>  <Target> (21)
Antimetabolites

>  <Form> (21)
Free Base

>  <CAS> (21)
61422-45-5

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

$$$$
Celastrol.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (22)
22

>  <Formula> (22)
C29H38O4

>  <MolWeight> (22)
450.60962

>  <Cat> (22)
S1290

>  <Name> (22)
Celastrol

>  <Synonyms> (22)
N/A

>  <Target> (22)
Proteasome

>  <Form> (22)
Free Base

>  <CAS> (22)
34157-83-0

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

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

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Free Base

>  <CAS> (23)
1262036-50-9

>  <URL> (23)
http://www.selleckchem.com/products/LY-2886721.html

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (24)
24

>  <Formula> (24)
C37H48N4O5

>  <MolWeight> (24)
628.80082

>  <Cat> (24)
S1380

>  <Name> (24)
Lopinavir (ABT-378)

>  <Synonyms> (24)
ABT-378

>  <Target> (24)
HIV Protease

>  <Form> (24)
Free Base

>  <CAS> (24)
192725-17-0

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

$$$$
Nafamostat mesylate.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (25)
25

>  <Formula> (25)
C21H25N5O8S2

>  <MolWeight> (25)
539.5819

>  <Cat> (25)
S1386

>  <Name> (25)
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>  <Synonyms> (25)
Futhan, FUT-175

>  <Target> (25)
Proteasome

>  <Form> (25)
Dimesylate

>  <CAS> (25)
82956-11-4

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

$$$$
Droxinostat.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (26)
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>  <Formula> (26)
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>  <MolWeight> (26)
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>  <Cat> (26)
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>  <Name> (26)
Droxinostat

>  <Synonyms> (26)
N/A

>  <Target> (26)
HDAC 

>  <Form> (26)
Free Base

>  <CAS> (26)
99873-43-5

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

$$$$
A 922500.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (27)
27

>  <Formula> (27)
C26H24N2O4

>  <MolWeight> (27)
428.47976

>  <Cat> (27)
S2674

>  <Name> (27)
A 922500

>  <Synonyms> (27)
N/A

>  <Target> (27)
Diacylglycerol Acyltransferase 1

>  <Form> (27)
Free Base

>  <CAS> (27)
959122-11-3

>  <URL> (27)
http://www.selleckchem.com/products/a-922500.html

$$$$
Topiramate.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C12H21NO8S

>  <MolWeight> (28)
339.36204

>  <Cat> (28)
S1438

>  <Name> (28)
Topiramate

>  <Synonyms> (28)
Topamax

>  <Target> (28)
Carbonic Anhydrase

>  <Form> (28)
Free Base

>  <CAS> (28)
97240-79-4

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

$$$$
VX-222.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (29)
29

>  <Formula> (29)
C25H35NO4S

>  <MolWeight> (29)
445.6147

>  <Cat> (29)
S1480

>  <Name> (29)
Lomibuvir (VX-222, VCH-222)

>  <Synonyms> (29)
N/A

>  <Target> (29)
HCV Protease

>  <Form> (29)
Free Base

>  <CAS> (29)
1026785-55-6

>  <URL> (29)
http://www.selleckchem.com/products/VX-222.html

$$$$
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csChFnd80/04022413592D

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1009119-64-5

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HDAC 

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852475-26-4

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http://www.selleckchem.com/products/MC1568.html

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HDAC

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929016-96-6

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PARP

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934162-61-5

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

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Factor Xa 

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    8.3832    6.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5103    5.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0218    3.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0024    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
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 12  1  0  0  0  0
 14 20  1  0  0  0  0
 19 10  1  1  0  0  0
 17 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 18  1  0  0  0  0
  2 25  1  6  0  0  0
  8 26  1  6  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C19H27N3O4

>  <MolWeight> (35)
361.43538

>  <Cat> (35)
S1594

>  <Name> (35)
Semagacestat (LY450139)

>  <Synonyms> (35)
LY-450139, LY450139

>  <Target> (35)
Gamma-secretase

>  <Form> (35)
Free Base

>  <CAS> (35)
425386-60-3

>  <URL> (35)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

$$$$
ALLI (orlistat).cdx
csChFnd80/04022413592D

 35 35  0  0  0  0  0  0  0  0999 V2000
    7.0267    6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    5.3121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4316    5.3121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4316    6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    7.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4216    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7739    4.6845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1362    6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4885    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8508    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2031    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5655    9.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9178    9.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2801   11.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6324   11.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9948   12.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3471   13.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7094   14.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638    3.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1161    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4785    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1061    3.0669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4015    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3914    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4583    3.4293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4483    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8006    2.8017    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  1  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  1  0  0  0
  2  7  1  6  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
  6 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
 13 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  1  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C29H53NO5

>  <MolWeight> (36)
495.73482

>  <Cat> (36)
S1629

>  <Name> (36)
Orlistat (Alli, Xenical)

>  <Synonyms> (36)
Tetrahydrolipstatin

>  <Target> (36)
Lipase

>  <Form> (36)
Free Base

>  <CAS> (36)
96829-58-2

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

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/04022413592D

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 O   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    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
  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
  5 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C13H12O2

>  <MolWeight> (37)
200.23318

>  <Cat> (37)
S1652

>  <Name> (37)
Monobenzone (Benoquin)

>  <Synonyms> (37)
Benoquin

>  <Target> (37)
Tyrosinase

>  <Form> (37)
Free Base

>  <CAS> (37)
103-16-2

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

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/04022413592D

 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> (38)
38

>  <Formula> (38)
C16H31NaO4

>  <MolWeight> (38)
310.40471

>  <Cat> (38)
S1703

>  <Name> (38)
Divalproex sodium

>  <Synonyms> (38)
Depakote, Epival

>  <Target> (38)
HDAC

>  <Form> (38)
Sodium Salt

>  <CAS> (38)
76584-70-8

>  <URL> (38)
http://www.selleckchem.com/products/Divalproex-sodium.html

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/04022413592D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    7.0122    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 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
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C11H15NO5

>  <MolWeight> (39)
241.2405

>  <Cat> (39)
S1736

>  <Name> (39)
Methocarbamol (Robaxin)

>  <Synonyms> (39)
Robaxin

>  <Target> (39)
Carbonic Anhydrase

>  <Form> (39)
Free Base

>  <CAS> (39)
532-03-6

>  <URL> (39)
http://www.selleckchem.com/products/Methocarbamol(Robaxin).html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/04022413592D

 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> (40)
40

>  <Formula> (40)
C5H5N5S

>  <MolWeight> (40)
167.1917

>  <Cat> (40)
S1774

>  <Name> (40)
Thioguanine

>  <Synonyms> (40)
6-Thioguanine

>  <Target> (40)
Others

>  <Form> (40)
Free Base

>  <CAS> (40)
154-42-7

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

$$$$
Amiloride hydrochloride.cdx
csChFnd80/04022413592D

 16 15  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
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  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
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C6H9Cl2N7O

>  <MolWeight> (41)
266.08796

>  <Cat> (41)
S1811

>  <Name> (41)
Amiloride HCl

>  <Synonyms> (41)
N/A

>  <Target> (41)
Sodium Channel,Calcium Channel

>  <Form> (41)
Hydrochloride

>  <CAS> (41)
2016-88-8

>  <URL> (41)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

$$$$
Tanshinone IIA.cdx
csChFnd80/04022413592D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C19H18O3

>  <MolWeight> (42)
294.34442

>  <Cat> (42)
S2365

>  <Name> (42)
Tanshinone IIA (Tanshinone B)

>  <Synonyms> (42)
Tanshinone B, Tanshinone II

>  <Target> (42)
Lipase

>  <Form> (42)
Free Base

>  <CAS> (42)
568-72-9

>  <URL> (42)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
Aloin.cdx
csChFnd80/04022413592D

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 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C21H22O9

>  <MolWeight> (43)
418.39398

>  <Cat> (43)
S2375

>  <Name> (43)
Aloin (Barbaloin)

>  <Synonyms> (43)
Barbaloin

>  <Target> (43)
Tyrosinase

>  <Form> (43)
Free Base

>  <CAS> (43)
1415-73-2 

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

$$$$
CEP-18770.cdx
csChFnd80/04022413592D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C21H28BN3O5

>  <MolWeight> (44)
413.27512

>  <Cat> (44)
S1157

>  <Name> (44)
Delanzomib (CEP-18770)

>  <Synonyms> (44)
N/A

>  <Target> (44)
Proteasome

>  <Form> (44)
Free Base

>  <CAS> (44)
847499-27-8

>  <URL> (44)
http://www.selleckchem.com/products/cep-18770.html

$$$$
PCI-34051.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C17H16N2O3

>  <MolWeight> (45)
296.32054

>  <Cat> (45)
S2012

>  <Name> (45)
PCI-34051

>  <Synonyms> (45)
N/A

>  <Target> (45)
HDAC 

>  <Form> (45)
Free Base

>  <CAS> (45)
950762-95-5

>  <URL> (45)
http://www.selleckchem.com/products/pci-34051.html

$$$$
CUDC-907.cdx
csChFnd80/04022413592D

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1339928-25-4

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HDAC

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Free Base

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251456-60-7 

>  <URL> (47)
http://www.selleckchem.com/products/m344.html

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>  <Synonyms> (48)
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>  <Target> (48)
Cannabinoid Receptor 

>  <Form> (48)
Free Base

>  <CAS> (48)
168273-06-1

>  <URL> (48)
http://www.selleckchem.com/products/rimonabant-sr141716.html

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Serine Protease,Cysteine Protease

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329-98-6

>  <URL> (49)
http://www.selleckchem.com/products/pmsf-phenylmethylsulfonyl-fluoride.html

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M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C27H44O7

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>  <Cat> (50)
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>  <Name> (50)
20-Hydroxyecdysone

>  <Synonyms> (50)
N/A 

>  <Target> (50)
Others

>  <Form> (50)
Free Base

>  <CAS> (50)
5289-74-7

>  <URL> (50)
http://www.selleckchem.com/products/20-hydroxyecdysone.html

$$$$
Atazanavir Sulfate.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (51)
51

>  <Formula> (51)
C38H54N6O11S

>  <MolWeight> (51)
802.93396

>  <Cat> (51)
S1457

>  <Name> (51)
Atazanavir sulfate

>  <Synonyms> (51)
BMS-232632-05, Reyataz 

>  <Target> (51)
HIV Protease

>  <Form> (51)
Sulfate

>  <CAS> (51)
229975-97-7

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

$$$$
CI994.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C15H15N3O2

>  <MolWeight> (52)
269.2985

>  <Cat> (52)
S2818

>  <Name> (52)
CI994 (Tacedinaline)

>  <Synonyms> (52)
PD-123654 

>  <Target> (52)
HDAC

>  <Form> (52)
Free Base

>  <CAS> (52)
112522-64-2

>  <URL> (52)
http://www.selleckchem.com/products/ci994-tacedinaline.html

$$$$
Salidroside.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C14H20O7

>  <MolWeight> (53)
300.3044

>  <Cat> (53)
S2396

>  <Name> (53)
Salidroside (Rhodioloside)

>  <Synonyms> (53)
Rhodioloside

>  <Target> (53)
Others

>  <Form> (53)
Free Base

>  <CAS> (53)
10338-51-9

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

$$$$
Dabigatran etexilate.cdx
csChFnd80/04022413592D

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N/A 

>  <Target> (54)
Thrombin

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Free Base

>  <CAS> (54)
211915-06-9

>  <URL> (54)
http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

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>  <Formula> (55)
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>  <Name> (55)
ITF2357 (Givinostat)

>  <Synonyms> (55)
N/A 

>  <Target> (55)
HDAC 

>  <Form> (55)
Chloride

>  <CAS> (55)
732302-99-7

>  <URL> (55)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

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>  <Mol_ID> (56)
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>  <Target> (56)
DNA/RNA Synthesis

>  <Form> (56)
Free Base

>  <CAS> (56)
486-35-1

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

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N/A

>  <Target> (57)
PARP

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Free Base

>  <CAS> (57)
328543-09-5

>  <URL> (57)
http://www.selleckchem.com/products/AG14361.html

$$$$
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58

>  <Formula> (58)
C14H19BCl2N2O4

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N/A

>  <Target> (58)
Proteasome 

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Free Base

>  <CAS> (58)
1072833-77-2

>  <URL> (58)
http://www.selleckchem.com/products/MLN-2238.html

$$$$
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>  <Mol_ID> (59)
59

>  <Formula> (59)
C20H23BCl2N2O9

>  <MolWeight> (59)
517.12162

>  <Cat> (59)
S2181

>  <Name> (59)
Ixazomib Citrate (MLN9708)

>  <Synonyms> (59)
N/A

>  <Target> (59)
Proteasome

>  <Form> (59)
Free Base

>  <CAS> (59)
1201902-80-8

>  <URL> (59)
http://www.selleckchem.com/products/MLN9708.html

$$$$
Avasimibe.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (60)
60

>  <Formula> (60)
C29H43NO4S

>  <MolWeight> (60)
501.72102

>  <Cat> (60)
S2187

>  <Name> (60)
Avasimibe (CI-1011)

>  <Synonyms> (60)
CI-1011

>  <Target> (60)
P450

>  <Form> (60)
Free Base

>  <CAS> (60)
166518-60-1 

>  <URL> (60)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
DAPT.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C23H26F2N2O4

>  <MolWeight> (61)
432.4603464

>  <Cat> (61)
S2215

>  <Name> (61)
DAPT (GSI-IX)

>  <Synonyms> (61)
GSI-IX

>  <Target> (61)
Gamma-secretase, Beta Amyloid

>  <Form> (61)
Free Base

>  <CAS> (61)
208255-80-5

>  <URL> (61)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

$$$$
Arbutin.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (62)
62

>  <Formula> (62)
C12H16O7

>  <MolWeight> (62)
272.25124

>  <Cat> (62)
S2263

>  <Name> (62)
Arbutin (Uva, p-Arbutin)

>  <Synonyms> (62)
Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

>  <Target> (62)
Estrogen/progestogen Receptor

>  <Form> (62)
Free Base

>  <CAS> (62)
497-76-7

>  <URL> (62)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

$$$$
Baicalein.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C15H10O5

>  <MolWeight> (63)
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S2268

>  <Name> (63)
Baicalein

>  <Synonyms> (63)
N/A

>  <Target> (63)
P450

>  <Form> (63)
Free Base

>  <CAS> (63)
491-67-8

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

$$$$
Baicalin.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (64)
64

>  <Formula> (64)
C21H18O11

>  <MolWeight> (64)
446.36102

>  <Cat> (64)
S2269

>  <Name> (64)
Baicalin

>  <Synonyms> (64)
N/A

>  <Target> (64)
GABA Receptor

>  <Form> (64)
Free Base

>  <CAS> (64)
21967-41-9

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

$$$$
VX 765.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C24H33ClN4O6

>  <MolWeight> (65)
508.99502

>  <Cat> (65)
S2228

>  <Name> (65)
Belnacasan (VX-765)

>  <Synonyms> (65)
N/A

>  <Target> (65)
Caspase

>  <Form> (65)
Free Base

>  <CAS> (65)
273404-37-8

>  <URL> (65)
http://www.selleckchem.com/products/VX-765.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C20H18ClNO4

>  <MolWeight> (66)
371.81422

>  <Cat> (66)
S2271

>  <Name> (66)
Berberine chloride

>  <Synonyms> (66)
N/A

>  <Target> (66)
Antifection

>  <Form> (66)
chloride

>  <CAS> (66)
633-65-8

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

$$$$
Limonin.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C26H30O8

>  <MolWeight> (67)
470.5116

>  <Cat> (67)
S2319

>  <Name> (67)
Limonin

>  <Synonyms> (67)
N/A

>  <Target> (67)
Others

>  <Form> (67)
Free Base

>  <CAS> (67)
1180-71-8

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

$$$$
Nobiletin.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C21H22O8

>  <MolWeight> (68)
402.39458

>  <Cat> (68)
S2333

>  <Name> (68)
Nobiletin (Hexamethoxyflavone)

>  <Synonyms> (68)
N/A 

>  <Target> (68)
MMP

>  <Form> (68)
Free Base

>  <CAS> (68)
478-01-3

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

$$$$
Parthenolide.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C15H20O3

>  <MolWeight> (69)
248.3175

>  <Cat> (69)
S2341

>  <Name> (69)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (69)
N/A 

>  <Target> (69)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (69)
Free Base

>  <CAS> (69)
20554-84-1

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

$$$$
LY 411575.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C26H23F2N3O4

>  <MolWeight> (70)
479.4753264

>  <Cat> (70)
S2714

>  <Name> (70)
LY411575

>  <Synonyms> (70)
N/A 

>  <Target> (70)
Gamma-secretase

>  <Form> (70)
Free Base

>  <CAS> (70)
209984-57-6

>  <URL> (70)
http://www.selleckchem.com/products/ly-411575.html

$$$$
untitled.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C19H18ClN3O5S

>  <MolWeight> (71)
435.88132

>  <Cat> (71)
S3002

>  <Name> (71)
Rivaroxaban (Xarelto)

>  <Synonyms> (71)
N/A 

>  <Target> (71)
Factor Xa

>  <Form> (71)
Free Base

>  <CAS> (71)
366789-02-8

>  <URL> (71)
http://www.selleckchem.com/products/Rivaroxaban.html

$$$$
MG132.cdx
csChFnd80/04022413592D

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Proteasome

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Free Base

>  <CAS> (72)
133407-82-6 

>  <URL> (72)
http://www.selleckchem.com/products/MG132.html

$$$$
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>  <Formula> (73)
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MK-0752

>  <Synonyms> (73)
N/A

>  <Target> (73)
Gamma-secretase

>  <Form> (73)
Free Base

>  <CAS> (73)
471905-41-6 

>  <URL> (73)
http://www.selleckchem.com/products/mk-0752.html

$$$$
Curcumin.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (74)
74

>  <Formula> (74)
C21H20O6

>  <MolWeight> (74)
368.3799

>  <Cat> (74)
S1848

>  <Name> (74)
Curcumin

>  <Synonyms> (74)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (74)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (74)
Free Base

>  <CAS> (74)
458-37-7

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

$$$$
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>  <Mol_ID> (75)
75

>  <Formula> (75)
C26H23F2N3O3

>  <MolWeight> (75)
463.4759264

>  <Cat> (75)
S2711

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YO-01027 (Dibenzazepine)

>  <Synonyms> (75)
N/A

>  <Target> (75)
Gamma-secretase

>  <Form> (75)
Free Base

>  <CAS> (75)
209984-56-5

>  <URL> (75)
http://www.selleckchem.com/products/yo-01027.html

$$$$
Linagliptin.cdx
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76

>  <Formula> (76)
C25H28N8O2

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Linagliptin (BI-1356)

>  <Synonyms> (76)
N/A 

>  <Target> (76)
DPP-4

>  <Form> (76)
Free Base

>  <CAS> (76)
668270-12-0

>  <URL> (76)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

$$$$
SCH727965.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (77)
77

>  <Formula> (77)
C21H28N6O2

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S2768

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Dinaciclib (SCH727965)

>  <Synonyms> (77)
N/A 

>  <Target> (77)
CDK

>  <Form> (77)
Free Base

>  <CAS> (77)
779353-01-4

>  <URL> (77)
http://www.selleckchem.com/products/dinaciclib-sch727965.html

$$$$
PAC1.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (78)
78

>  <Formula> (78)
C23H28N4O2

>  <MolWeight> (78)
392.49402

>  <Cat> (78)
S2738

>  <Name> (78)
PAC-1

>  <Synonyms> (78)
Procaspase activating compound 1

>  <Target> (78)
Caspase

>  <Form> (78)
Free Base

>  <CAS> (78)
315183-21-2

>  <URL> (78)
http://www.selleckchem.com/products/pac-1.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (79)
79

>  <Formula> (79)
C20H22ClN3O2

>  <MolWeight> (79)
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>  <Cat> (79)
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>  <Name> (79)
Tubastatin A hydrochloride

>  <Synonyms> (79)
N/A

>  <Target> (79)
HDAC

>  <Form> (79)
Hydrochloride

>  <CAS> (79)
1310693-92-5

>  <URL> (79)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
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>  <Mol_ID> (80)
80

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LY 2811376 

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5-alpha Reductase

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Free Base

>  <CAS> (80)
1194044-20-6

>  <URL> (80)
http://www.selleckchem.com/products/LY2811376.html

$$$$
Finasteride.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (81)
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C23H36N2O2

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Finasteride

>  <Synonyms> (81)
N/A 

>  <Target> (81)
5-alpha Reductase

>  <Form> (81)
Free Base

>  <CAS> (81)
98319-26-7

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

$$$$
Tioxolone.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (82)
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Tioxolone

>  <Synonyms> (82)
N/A 

>  <Target> (82)
Carbonic Anhydrase

>  <Form> (82)
Free Base

>  <CAS> (82)
4991-65-5

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

$$$$
Brinzolamide.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (83)
83

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C12H21N3O5S3

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>  <Cat> (83)
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>  <Name> (83)
Brinzolamide

>  <Synonyms> (83)
Azopt 

>  <Target> (83)
Carbonic Anhydrase

>  <Form> (83)
Free Base

>  <CAS> (83)
138890-62-7

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

$$$$
Triflusal.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (84)
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N/A 

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COX

>  <Form> (84)
Free Base

>  <CAS> (84)
322-79-2

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

$$$$
carfilzomib(PR-171).cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C40H57N5O7

>  <MolWeight> (85)
719.90988

>  <Cat> (85)
S2853

>  <Name> (85)
Carfilzomib (PR-171)

>  <Synonyms> (85)
N/A 

>  <Target> (85)
Proteasome

>  <Form> (85)
Free Base

>  <CAS> (85)
868540-17-4

>  <URL> (85)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

$$$$
Gambogic acid.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C38H44O8

>  <MolWeight> (86)
628.75116

>  <Cat> (86)
S2448

>  <Name> (86)
Gambogic Acid

>  <Synonyms> (86)
N/A

>  <Target> (86)
Bcl-2,Caspase

>  <Form> (86)
Free Base

>  <CAS> (86)
2752-65-0

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

$$$$
U-104.cdx
csChFnd80/04022413592D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C13H12FN3O3S

>  <MolWeight> (87)
309.3160832

>  <Cat> (87)
S2866

>  <Name> (87)
U-104

>  <Synonyms> (87)
N/A

>  <Target> (87)
Carbonic Anhydrase

>  <Form> (87)
Free Base

>  <CAS> (87)
178606-66-1

>  <URL> (87)
http://www.selleckchem.com/products/u-104.html

$$$$
Camostat mesilate.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C21H26N4O8S

>  <MolWeight> (88)
494.51814

>  <Cat> (88)
S2874

>  <Name> (88)
Camostat Mesilate (FOY-305)

>  <Synonyms> (88)
N/A

>  <Target> (88)
HCV Protease

>  <Form> (88)
Mesilate

>  <CAS> (88)
59721-29-8

>  <URL> (88)
http://www.selleckchem.com/products/camostat-mesilate-foy-305.html

$$$$
GW 441756.cdx
csChFnd80/04022413592D

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    7.5201    5.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3430    6.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7736    7.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3813    7.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9792    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    3.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  4  0  0  0
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 13 21  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C17H13N3O

>  <MolWeight> (89)
275.30462

>  <Cat> (89)
S2891

>  <Name> (89)
GW 441756

>  <Synonyms> (89)
N/A

>  <Target> (89)
Others

>  <Form> (89)
Free Base

>  <CAS> (89)
504433-23-2

>  <URL> (89)
http://www.selleckchem.com/products/gw-441756.html

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/04022413592D

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    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6242    0.2576    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
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  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C14H21Br2ClN2

>  <MolWeight> (90)
412.59094

>  <Cat> (90)
S2060

>  <Name> (90)
Bromhexine HCl

>  <Synonyms> (90)
N/A

>  <Target> (90)
Others

>  <Form> (90)
HCl

>  <CAS> (90)
611-75-6

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

$$$$
Argatroban.cdx
csChFnd80/04022413592D

 36 38  0  0  0  0  0  0  0  0999 V2000
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    6.0453    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 30 26  1  0  0  0  0
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M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C23H36N6O5S

>  <MolWeight> (91)
508.63414

>  <Cat> (91)
S2069

>  <Name> (91)
Argatroban

>  <Synonyms> (91)
N/A

>  <Target> (91)
Thrombin

>  <Form> (91)
Free Base

>  <CAS> (91)
74863-84-6

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

$$$$
Mecarbinate.cdx
csChFnd80/04022413592D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.1388    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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M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C13H15NO3

>  <MolWeight> (92)
233.2631

>  <Cat> (92)
S2074

>  <Name> (92)
Mecarbinate

>  <Synonyms> (92)
N/A

>  <Target> (92)
Others

>  <Form> (92)
Free Base

>  <CAS> (92)
15574-49-9

>  <URL> (92)
http://www.selleckchem.com/products/mecarbinate.html

$$$$
Gabexate mesylate.cdx
csChFnd80/04022413592D

 28 27  0  0  0  0  0  0  0  0999 V2000
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 25 27  1  0  0  0  0
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M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C17H27N3O7S

>  <MolWeight> (93)
417.47718

>  <Cat> (93)
S2101

>  <Name> (93)
Gabexate mesylate

>  <Synonyms> (93)
N/A

>  <Target> (93)
Proteasome

>  <Form> (93)
Mesylate

>  <CAS> (93)
56974-61-9

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

$$$$
Pazopanib.cdx
csChFnd80/04022413592D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    9.6166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5544    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9792    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7903    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
  2 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
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 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 29  1  0  0  0  0
 21 29  2  0  0  0  0
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M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C21H23N7O2S

>  <MolWeight> (94)
437.51802

>  <Cat> (94)
S3012

>  <Name> (94)
Pazopanib

>  <Synonyms> (94)
N/A

>  <Target> (94)
VEGFR

>  <Form> (94)
Free Base

>  <CAS> (94)
444731-52-6

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

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/04022413592D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    5.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    2.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8867    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6577    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0271    2.5093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7271    3.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7903    4.7621    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 17 23  1  1  0  0  0
 18 24  1  1  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 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  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 31  1  0  0  0  0
 31 21  1  1  0  0  0
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C25H35N3O6S

>  <MolWeight> (95)
505.6269

>  <Cat> (95)
S1639

>  <Name> (95)
Amprenavir (Agenerase)

>  <Synonyms> (95)
Agenerase

>  <Target> (95)
HIV Protease

>  <Form> (95)
Free Base

>  <CAS> (95)
161814-49-9

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

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/04022413592D

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.1544    6.0278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1544    4.6278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4859    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3088    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    6.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    7.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    3.2326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6983    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9065    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9065    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0230    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230    5.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5354    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6606    6.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6506    7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2882    9.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9359    9.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9460    8.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3083    7.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7478    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9603    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9603    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5438    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5455    2.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    2.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1727    4.1927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3852    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3852    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.1804    3.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3928    4.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6052    3.9423    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
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  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  2 10  1  1  0  0  0
  3 11  1  1  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 19 32  1  6  0  0  0
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 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
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 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
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 34 43  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C29H43N3O8S

>  <MolWeight> (96)
593.73202

>  <Cat> (96)
S1620

>  <Name> (96)
Darunavir Ethanolate (Prezista)

>  <Synonyms> (96)
Prezista, TMC114

>  <Target> (96)
HIV Protease

>  <Form> (96)
Ethanolate

>  <CAS> (96)
635728-49-3

>  <URL> (96)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

$$$$
Apoptosis Activator II.cdx
csChFnd80/04022413592D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7641    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8641    4.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    5.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0641    4.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    2.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2705    2.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8981    4.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C15H9Cl2NO2

>  <MolWeight> (97)
306.14346

>  <Cat> (97)
S2927

>  <Name> (97)
Apoptosis Activator 2

>  <Synonyms> (97)
N/A

>  <Target> (97)
Caspase

>  <Form> (97)
Free Base

>  <CAS> (97)
79183-19-0

>  <URL> (97)
http://www.selleckchem.com/products/apoptosis-activator-2.html

$$$$
PF-04171426.cdx
csChFnd80/04022413592D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.9975    1.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7865    2.1336    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C15H24N4O4

>  <MolWeight> (98)
324.37546

>  <Cat> (98)
S2224

>  <Name> (98)
UK 383367

>  <Synonyms> (98)
UK-383367

>  <Target> (98)
Procollagen C Proteinase

>  <Form> (98)
Free Base

>  <CAS> (98)
348622-88-8

>  <URL> (98)
http://www.selleckchem.com/products/uk-383367.html

$$$$
methazolamide.cdx
csChFnd80/04022413592D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C5H8N4O3S2

>  <MolWeight> (99)
236.27202

>  <Cat> (99)
S4039

>  <Name> (99)
Methazolamide

>  <Synonyms> (99)
N/A

>  <Target> (99)
Carbonic Anhydrase

>  <Form> (99)
Free Base

>  <CAS> (99)
554-57-4

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

$$$$
JZL184.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C27H24N2O9

>  <MolWeight> (100)
520.48746

>  <Cat> (100)
S4904

>  <Name> (100)
JZL184

>  <Synonyms> (100)
N/A

>  <Target> (100)
Lipase

>  <Form> (100)
Free Base

>  <CAS> (100)
1101854-58-3

>  <URL> (100)
http://www.selleckchem.com/products/jzl184.html

$$$$
Deoxyarbutin.cdx
csChFnd80/04022413592D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C11H14O3

>  <MolWeight> (101)
194.22706

>  <Cat> (101)
S4132

>  <Name> (101)
Deoxyarbutin

>  <Synonyms> (101)
D-arbutin

>  <Target> (101)
Tyrosinase

>  <Form> (101)
Free Base

>  <CAS> (101)
53936-56-4

>  <URL> (101)
https://www.selleckchem.com/products/deoxyarbutin.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/04022413592D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C10H11NaO2

>  <MolWeight> (102)
186.18291

>  <Cat> (102)
S4125

>  <Name> (102)
Sodium Phenylbutyrate

>  <Synonyms> (102)
N/A

>  <Target> (102)
HDAC

>  <Form> (102)
Sodium Salt

>  <CAS> (102)
1716-12-7

>  <URL> (102)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
Cyclandelate.cdx
csChFnd80/04022413592D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C17H24O3

>  <MolWeight> (103)
276.37066

>  <Cat> (103)
S4189

>  <Name> (103)
Cyclandelate

>  <Target> (103)
Others

>  <Form> (103)
Free Base

>  <CAS> (103)
456-59-7

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

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/04022413592D

 24 25  0  0  0  0  0  0  0  0999 V2000
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864814-88-0

>  <URL> (104)
http://www.selleckchem.com/products/resminostat-ras2410.html

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N/A

>  <Target> (105)
DUB

>  <Form> (105)
Free Base

>  <CAS> (105)
1009817-63-3

>  <URL> (105)
http://www.selleckchem.com/products/b-ap15.html

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>  <Mol_ID> (106)
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MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Synonyms> (106)
N/A

>  <Target> (106)
Tyrosinase,p97,Syk,Src

>  <Form> (106)
Free Base

>  <CAS> (106)
1485-00-3

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

$$$$
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>  <Mol_ID> (107)
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>  <Synonyms> (107)
N/A

>  <Target> (107)
DNA/RNA Synthesis

>  <Form> (107)
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>  <CAS> (107)
1190307-88-0

>  <URL> (107)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

$$$$
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M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C36H53N7O6

>  <MolWeight> (108)
679.84932

>  <Cat> (108)
S1538

>  <Name> (108)
Telaprevir (VX-950)

>  <Synonyms> (108)
LY-570310, MP-424

>  <Target> (108)
HCV Protease

>  <Form> (108)
Free Base

>  <CAS> (108)
402957-28-2

>  <URL> (108)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

$$$$
Doxycycline hyclate.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C46H58Cl2N4O18

>  <MolWeight> (109)
1025.87472

>  <Cat> (109)
S4163

>  <Name> (109)
Doxycycline hyclate

>  <Synonyms> (109)
N/A

>  <Target> (109)
MMP

>  <Form> (109)
hyclate

>  <CAS> (109)
24390-14-5

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

$$$$
Nelfinavir mesylate .cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C33H49N3O7S2

>  <MolWeight> (110)
663.88806

>  <Cat> (110)
S4282

>  <Name> (110)
Nelfinavir Mesylate

>  <Synonyms> (110)
N/A

>  <Target> (110)
HIV Protease

>  <Form> (110)
Mesylate

>  <CAS> (110)
159989-65-8

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

$$$$
Eltrombopag diethanolamine salt.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C29H36N6O6

>  <MolWeight> (111)
564.63274

>  <Cat> (111)
S2229

>  <Name> (111)
Eltrombopag olamine

>  <Synonyms> (111)
SB-497115-GR, SB497115

>  <Target> (111)
Thrombin

>  <Form> (111)
diolamine

>  <CAS> (111)
496775-62-3

>  <URL> (111)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

$$$$
Eltrombopag (Promacta).cdx
csChFnd80/04022413592D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C25H22N4O4

>  <MolWeight> (112)
442.46658

>  <Cat> (112)
S4502

>  <Name> (112)
Eltrombopag

>  <Synonyms> (112)
N/A

>  <Target> (112)
Thrombin

>  <Form> (112)
Free Base

>  <CAS> (112)
496775-61-2

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

$$$$
S4002.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C16H20F6N5O6P

>  <MolWeight> (113)
523.3240802

>  <Cat> (113)
S4002

>  <Name> (113)
Sitagliptin phosphate monohydrate

>  <Synonyms> (113)
MK-0431

>  <Target> (113)
DPP-4

>  <Form> (113)
phosphate &monohydrate

>  <CAS> (113)
654671-77-9

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

$$$$
S1096-JNJ26481585.cdx
csChFnd80/04022413592D

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   11.3942    5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    2.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6416    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8541    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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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   19.9162    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1287    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3411    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
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 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> (114)
114

>  <Formula> (114)
C21H28Cl2N6O2

>  <MolWeight> (114)
467.39202

>  <Cat> (114)
S1096

>  <Name> (114)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (114)
N/A

>  <Target> (114)
HDAC

>  <Form> (114)
Dihydrochloride

>  <CAS> (114)
875320-31-3

>  <URL> (114)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$
Acetazolamide.cdx
csChFnd80/04022413592D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.7037    1.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    0.9301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9689    1.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5290    3.0883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    3.0806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3027    1.3338    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    1.3069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3291    2.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6127    3.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  3  6  1  0  0  0  0
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  6  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C4H6N4O3S2

>  <MolWeight> (115)
222.24544

>  <Cat> (115)
S4506

>  <Name> (115)
Acetazolamide

>  <Synonyms> (115)
Diamox

>  <Target> (115)
Carbonic Anhydrase

>  <Form> (115)
Free Base

>  <CAS> (115)
59-66-5

>  <URL> (115)
http://www.selleckchem.com/products/acetazolamide.html

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/04022413592D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6570    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    3.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693    1.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2952    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5082    2.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7201    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9325    2.1157    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
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C12H18O2

>  <MolWeight> (116)
194.27012

>  <Cat> (116)
S4571

>  <Name> (116)
Hexylresorcinol

>  <Synonyms> (116)
4-Hexylresorcinol

>  <Target> (116)
Tyrosinase

>  <Form> (116)
Free Base

>  <CAS> (116)
136-77-6

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

$$$$
S4591 Nitroxoline.cdx
csChFnd80/04022413592D

 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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 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
    3.6373    1.4000    0.0000 N   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
    1.2124    5.6000    0.0000 N   0  3  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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  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
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C9H6N2O3

>  <MolWeight> (117)
190.15554

>  <Cat> (117)
S4591

>  <Name> (117)
Nitroxoline

>  <Synonyms> (117)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (117)
Topoisomerase

>  <Form> (117)
Free Base

>  <CAS> (117)
4008-48-4

>  <URL> (117)
http://www.selleckchem.com/products/nitroxoline.html

$$$$

csChFnd80/04022413592D

 35 31  0  0  0  0  0  0  0  0999 V2000
   14.0646    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6646    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7646    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7646    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1646    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0646    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0646    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5646    3.6373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6646    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8646    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1646    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5646    2.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5646    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2646    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9646    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9646    3.6373    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    7.0646    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3646    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2587    3.5762    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.1670    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   29.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   29.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   19.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   19.3019    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
  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
  7 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C20H29N2NaO11S

>  <MolWeight> (118)
528.50583

>  <Cat> (118)
S4666

>  <Name> (118)
Sivelestat sodium tetrahydrate

>  <Synonyms> (118)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (118)
Serine Protease

>  <Form> (118)
Sodium salt tetrahydrate

>  <CAS> (118)
201677-61-4

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

$$$$
Atazanavir.cdx
csChFnd80/04022413592D

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7079    4.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5577    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    7.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9725    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9725    9.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559   10.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    9.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3268    7.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1850   10.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4016    9.6011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6183   10.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6183   11.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4016   12.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1850   11.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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  6 14  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 10 18  1  6  0  0  0
 18 19  1  0  0  0  0
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 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
 11 25  1  1  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 35 41  1  0  0  0  0
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 38 42  1  0  0  0  0
 42 43  2  0  0  0  0
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 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C38H52N6O7

>  <MolWeight> (119)
704.85548

>  <Cat> (119)
S4662

>  <Name> (119)
Atazanavir

>  <Synonyms> (119)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (119)
HIV Protease

>  <Form> (119)
Free Base

>  <CAS> (119)
198904-31-3

>  <URL> (119)
http://www.selleckchem.com/products/atazanavir-reyataz.html

$$$$
S4715 Benzamide.cdx
csChFnd80/04022413592D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.6999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C7H7NO

>  <MolWeight> (120)
121.13658

>  <Cat> (120)
S4715

>  <Name> (120)
Benzamide

>  <Synonyms> (120)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (120)
Others

>  <Form> (120)
Free Base

>  <CAS> (120)
55-21-0

>  <URL> (120)
http://www.selleckchem.com/products/benzamide.html

$$$$
S4725 Benzenesulfonamide.cdx
csChFnd80/04022413592D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1875    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
    0.7000    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C6H7NO2S

>  <MolWeight> (121)
157.19028

>  <Cat> (121)
S4725

>  <Name> (121)
Benzenesulfonamide

>  <Synonyms> (121)
N/A

>  <Target> (121)
Carbonic Anhydrase

>  <Form> (121)
Free Base

>  <CAS> (121)
36070

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/04022413592D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C6H6N2O

>  <MolWeight> (122)
122.12464

>  <Cat> (122)
S4710

>  <Name> (122)
Picolinamide

>  <Synonyms> (122)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (122)
PARP

>  <Form> (122)
Free Base

>  <CAS> (122)
1452-77-3

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

$$$$
MK4827.cdx
csChFnd80/04022413592D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C19H20N4O

>  <MolWeight> (123)
320.3883

>  <Cat> (123)
S2741

>  <Name> (123)
MK-4827(Niraparib)

>  <Synonyms> (123)
N/A

>  <Target> (123)
PARP

>  <Form> (123)
Free Base

>  <CAS> (123)
1038915-60-4

>  <URL> (123)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4739 Oxyresveratrol.cdx
csChFnd80/04022413592D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    3.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4520    4.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8954    4.1993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  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
 16 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C14H12O4

>  <MolWeight> (124)
244.24268

>  <Cat> (124)
S4739

>  <Name> (124)
Oxyresveratrol

>  <Synonyms> (124)
Tetrahydroxystilbene, 2,3',4,5'-tetrahydroxystilbene

>  <Target> (124)
Others

>  <Form> (124)
Free Base

>  <CAS> (124)
29700-22-9

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

$$$$
S3691 4-Chlorosalicylic acid.cdx
csChFnd80/04022413592D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6385    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    2.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    2.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8522    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0028    0.0000 Cl  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
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C7H5ClO3

>  <MolWeight> (125)
172.5658

>  <Cat> (125)
S3691

>  <Name> (125)
4-Chloro-2-hydroxybenzoic acid

>  <Synonyms> (125)
4-chloro salicylic acid

>  <Target> (125)
Others

>  <Form> (125)
free base

>  <CAS> (125)
5106-98-9

>  <URL> (125)
http://www.selleckchem.com/products/4-chlorosalicylic-acid.html

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/04022413592D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4560    2.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871    2.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (126)
126

>  <Formula> (126)
C6H7NO2

>  <MolWeight> (126)
125.12528

>  <Cat> (126)
S3692

>  <Name> (126)
N-Ethylmaleimide (NEM)

>  <Synonyms> (126)
N/A

>  <Target> (126)
cysteine peptidases

>  <Form> (126)
free base

>  <CAS> (126)
128-53-0

>  <URL> (126)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (127)
127

>  <Formula> (127)
C7H11ClN2O2S

>  <MolWeight> (127)
222.69244

>  <Cat> (127)
S3697

>  <Name> (127)
Mafenide hydrochloride

>  <Synonyms> (127)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (127)
carbonic anhydrase

>  <Form> (127)
hydrochloride

>  <CAS> (127)
138-37-4

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

$$$$
S3610 Cordycepin.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C10H13N5O3

>  <MolWeight> (128)
251.24192

>  <Cat> (128)
S3610

>  <Name> (128)
Cordycepin

>  <Synonyms> (128)
N/A

>  <Target> (128)
Others

>  <Form> (128)
free base

>  <CAS> (128)
73-03-0

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

$$$$
S3728 Grazoprevir.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C38H50N6O9S

>  <MolWeight> (129)
766.9034

>  <Cat> (129)
S3728

>  <Name> (129)
Grazoprevir

>  <Synonyms> (129)
MK5172

>  <Target> (129)
Hepatitis C Virus NS3/4A Protease

>  <Form> (129)
free base

>  <CAS> (129)
1350514-68-9

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

$$$$
S3647 Mafenide (Acetate).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (130)
130

>  <Formula> (130)
C9H14N2O4S

>  <MolWeight> (130)
246.28346

>  <Cat> (130)
S3647

>  <Name> (130)
Mafenide Acetate

>  <Synonyms> (130)
N/A

>  <Target> (130)
carbonic anhydrase

>  <Form> (130)
acetate

>  <CAS> (130)
13009-99-9

>  <URL> (130)
http://www.selleckchem.com/products/mafenide-acetate.html

$$$$
S3724 Velpatasvir.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C49H54N8O8

>  <MolWeight> (131)
883.00186

>  <Cat> (131)
S3724

>  <Name> (131)
Velpatasvir

>  <Synonyms> (131)
GS-5816

>  <Target> (131)
NS5A

>  <Form> (131)
free base

>  <CAS> (131)
1377049-84-7

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

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C27H45N5O5

>  <MolWeight> (132)
519.6767

>  <Cat> (132)
S3733

>  <Name> (132)
Boceprevir

>  <Synonyms> (132)
N/A

>  <Target> (132)
hepatitis C virus (HCV) protease

>  <Form> (132)
free base

>  <CAS> (132)
394730-60-0

>  <URL> (132)
http://www.selleckchem.com/products/boceprevir.html

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C11H12O5

>  <MolWeight> (133)
224.20998

>  <Cat> (133)
S3981

>  <Name> (133)
Sinapinic Acid

>  <Synonyms> (133)
Sinapic acid

>  <Target> (133)
Others

>  <Form> (133)
free base

>  <CAS> (133)
530-59-6

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

$$$$
S3835 Loganin.cdx
csChFnd80/04022413592D

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  6  9  1  0  0  0  0
 12  7  1  1  0  0  0
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 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C17H26O10

>  <MolWeight> (134)
390.38234

>  <Cat> (134)
S3835

>  <Name> (134)
Loganin

>  <Synonyms> (134)
Loganoside

>  <Target> (134)
AChE,BACE1,BChE

>  <Form> (134)
free base

>  <CAS> (134)
18524-94-2

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

$$$$
S3783 Echinacoside.cdx
csChFnd80/04022413592D

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 29 38  1  6  0  0  0
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M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C35H46O20

>  <MolWeight> (135)
786.72774

>  <Cat> (135)
S3783

>  <Name> (135)
Echinacoside

>  <Synonyms> (135)
N/A

>  <Target> (135)
Others

>  <Form> (135)
free base

>  <CAS> (135)
82854-37-3

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

$$$$
S3800 Lycorine hydrochloride.cdx
csChFnd80/04022413592D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C16H18ClNO4

>  <MolWeight> (136)
323.77142

>  <Cat> (136)
S3800

>  <Name> (136)
Lycorine hydrochloride

>  <Synonyms> (136)
Galanthidine hydrochloride, Amarylline hydrochloride, Narcissine hydrochloride, Licorine hydrochlorid

>  <Target> (136)
HCV proteases

>  <Form> (136)
hydrochloride

>  <CAS> (136)
2188-68-3

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (137)
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>  <Formula> (137)
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>  <MolWeight> (137)
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>  <Synonyms> (137)
AST-IV, AS-IV

>  <Target> (137)
Others

>  <Form> (137)
free base

>  <CAS> (137)
84687-43-4

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

$$$$
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>  <Mol_ID> (138)
138

>  <Formula> (138)
C20H24O11

>  <MolWeight> (138)
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>  <Cat> (138)
S3781

>  <Name> (138)
Ginkgolide C

>  <Synonyms> (138)
BN-52022

>  <Target> (138)
Others

>  <Form> (138)
free base

>  <CAS> (138)
15291-76-6

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

$$$$
Plerixafor 8HCl.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (139)
139

>  <Formula> (139)
C28H62Cl8N8

>  <MolWeight> (139)
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>  <Cat> (139)
S3013

>  <Name> (139)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (139)
AMD3100 

>  <Target> (139)
CXCR

>  <Form> (139)
Octahydrochloride 

>  <CAS> (139)
155148-31-5

>  <URL> (139)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
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csChFnd80/04022413592D

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>  <Mol_ID> (140)
140

>  <Formula> (140)
C18H18N2O4

>  <MolWeight> (140)
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>  <Cat> (140)
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>  <Name> (140)
Scriptaid 

>  <Synonyms> (140)
Scriptide, GCK 1026

>  <Target> (140)
HDAC

>  <Form> (140)
Free Base

>  <CAS> (140)
287383-59-9

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

$$$$
Batimastat (BB-94).cdx
csChFnd80/04022413592D

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Batimastat

>  <Target> (141)
MMP

>  <Form> (141)
Free Base

>  <CAS> (141)
130370-60-4

>  <URL> (141)
https://www.selleckchem.com/products/bb-94.html

$$$$
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csChFnd80/04022413592D

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>  <Mol_ID> (142)
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>  <Formula> (142)
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Ilomastat (GM6001, Galardin)

>  <Synonyms> (142)
N/A

>  <Target> (142)
MMP

>  <Form> (142)
Free Base

>  <CAS> (142)
142880-36-2

>  <URL> (142)
https://www.selleckchem.com/products/gm6001.html

$$$$
TCID.cdx
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>  <Mol_ID> (143)
143

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TCID

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UCH-L3 Inhibitor

>  <Target> (143)
DUB

>  <Form> (143)
Free Base

>  <CAS> (143)
30675-13-9

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

$$$$
IU1.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (144)
144

>  <Formula> (144)
C18H21FN2O

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IU1

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N/A

>  <Target> (144)
Proteasome

>  <Form> (144)
Free Base

>  <CAS> (144)
314245-33-5

>  <URL> (144)
http://www.selleckchem.com/products/iu1.html

$$$$
LDN-57444.cdx
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145

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LDN-57444

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N/A

>  <Target> (145)
Proteasome

>  <Form> (145)
Free Base

>  <CAS> (145)
668467-91-2

>  <URL> (145)
http://www.selleckchem.com/products/ldn-57444.html

$$$$
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  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C12H7Cl2NO3S2

>  <MolWeight> (146)
348.22488

>  <Cat> (146)
S7132

>  <Name> (146)
P5091 (P005091)

>  <Synonyms> (146)
N/A

>  <Target> (146)
DUB

>  <Form> (146)
Free Base

>  <CAS> (146)
882257-11-6

>  <URL> (146)
http://www.selleckchem.com/products/p5091-p005091.html

$$$$
S3865 Taurochenodeoxycholic acid.cdx
csChFnd80/04022413592D

 39 42  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C26H45NO6S

>  <MolWeight> (147)
499.7036

>  <Cat> (147)
S3865

>  <Name> (147)
Taurochenodeoxycholic acid

>  <Synonyms> (147)
Taurochenodeoxycholate, TCDCA, 12-Deoxycholyltaurine, Chenodeoxycholyltaurine, Chenyltaurine

>  <Target> (147)
Others

>  <Form> (147)
free base

>  <CAS> (147)
516-35-8

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

$$$$
S3903 Lycorine.cdx
csChFnd80/04022413592D

 23 27  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 23  1  6  0  0  0
M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C16H17NO4

>  <MolWeight> (148)
287.31048

>  <Cat> (148)
S3903

>  <Name> (148)
Lycorine

>  <Synonyms> (148)
Galanthidine, Amarylline, Narcissine, Licorine, Belamarine

>  <Target> (148)
acetylcholinesterase 

>  <Form> (148)
free base

>  <CAS> (148)
476-28-8

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

$$$$
S4935 Asunaprevir.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C35H46ClN5O9S

>  <MolWeight> (149)
748.28584

>  <Cat> (149)
S4935

>  <Name> (149)
Asunaprevir

>  <Synonyms> (149)
BMS-650032

>  <Target> (149)
hepatitis C virus enzyme serine protease NS

>  <Form> (149)
free base

>  <CAS> (149)
630420-16-5

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

$$$$
S5015 Simeprevir.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C38H47N5O7S2

>  <MolWeight> (150)
749.93908

>  <Cat> (150)
S5015

>  <Name> (150)
TMC-435, TMC-435350

>  <Synonyms> (150)
TMC-435, TMC-435350

>  <Target> (150)
HCV NS3/4A protease

>  <Form> (150)
free base

>  <CAS> (150)
923604-59-5

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

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C10H13N5O

>  <MolWeight> (151)
219.24312

>  <Cat> (151)
S4884

>  <Name> (151)
Trans-Zeatin

>  <Synonyms> (151)
(E)-Zeatin

>  <Target> (151)
Others

>  <CAS> (151)
1637-39-4

>  <URL> (151)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4964 Lactobionic acid.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C12H22O12

>  <MolWeight> (152)
358.29588

>  <Cat> (152)
S4964

>  <Name> (152)
Lactobionic acid

>  <Synonyms> (152)
Galactosylgluconic acid

>  <Target> (152)
Others

>  <CAS> (152)
96-82-2

>  <URL> (152)
http://selleckchem.com/products/lactobionic-acid.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C15H12O2

>  <MolWeight> (153)
224.25458

>  <Cat> (153)
S4937

>  <Name> (153)
4'-Hydroxychalcone

>  <Synonyms> (153)
P-Cinnamoylphenol

>  <Target> (153)
Others

>  <Form> (153)
free base

>  <CAS> (153)
2657-25-2

>  <URL> (153)
http://selleckchem.com/products/hydroxychalcone.html

$$$$
Sodium valproate.cdx
csChFnd80/04022413592D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C8H15NaO2

>  <MolWeight> (154)
166.19327

>  <Cat> (154)
S1168

>  <Name> (154)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (154)
N/A 

>  <Target> (154)
GABA Receptor, HDAC

>  <CAS> (154)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
ACY-1215.cdx
csChFnd80/04022413592D

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885101-89-3

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1048371-03-4

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M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C22H22FN3O3

>  <MolWeight> (159)
395.4267832

>  <Cat> (159)
S7029

>  <Name> (159)
AZD2461

>  <Synonyms> (159)
N/A

>  <Target> (159)
PARP

>  <Form> (159)
Free Base

>  <CAS> (159)
1174043-16-3

>  <URL> (159)
https://www.selleckchem.com/products/azd2461.html

$$$$
SBC-115076.cdx
csChFnd80/04022413592D

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 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C31H33N3O5

>  <MolWeight> (160)
527.61082

>  <Cat> (160)
S7976

>  <Name> (160)
SBC-115076

>  <Synonyms> (160)
N/A

>  <Target> (160)
Others

>  <Form> (160)
Free Base

>  <CAS> (160)
489415-96-5

>  <URL> (160)
http://www.selleckchem.com/products/sbc-115076.html

$$$$
Dorzolamide HCL.cdx
csChFnd80/04022413592D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C10H17ClN2O4S3

>  <MolWeight> (161)
360.90098

>  <Cat> (161)
S1375

>  <Name> (161)
Dorzolamide HCL

>  <Synonyms> (161)
Trusopt, Cosopt

>  <Target> (161)
Carbonic Anhydrase

>  <Form> (161)
Hydrochloride

>  <CAS> (161)
130693-82-2

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

$$$$
Sodium butyrate.cdx
csChFnd80/04022413592D

  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
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M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C4H7NaO2

>  <MolWeight> (162)
110.08695

>  <Cat> (162)
S1999

>  <Name> (162)
Sodium butyrate

>  <Synonyms> (162)
Butyric acid sodium salt

>  <Target> (162)
HDAC

>  <Form> (162)
Sodium Salt

>  <CAS> (162)
156-54-7

>  <URL> (162)
http://www.selleckchem.com/products/Sodium-butyrate.html

$$$$
Tranexamic acid.cdx
csChFnd80/04022413592D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C8H15NO2

>  <MolWeight> (163)
157.2102

>  <Cat> (163)
S1875

>  <Name> (163)
Tranexamic acid (Transamin)

>  <Synonyms> (163)
Cyklokapron 

>  <Form> (163)
Free Base

>  <CAS> (163)
1197-18-8

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

$$$$
P22077.cdx
csChFnd80/04022413592D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C12H7F2NO3S2

>  <MolWeight> (164)
315.3156864

>  <Cat> (164)
S7133

>  <Name> (164)
P22077

>  <Synonyms> (164)
N/A

>  <Target> (164)
DUB

>  <Form> (164)
Free Base

>  <CAS> (164)
1247819-59-5

>  <URL> (164)
http://www.selleckchem.com/products/p22077.html

$$$$
PR-619.cdx
csChFnd80/04022413592D

 14 14  0  0  0  0  0  0  0  0999 V2000
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66701-25-5

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6754-58-1

>  <URL> (167)
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S7933

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VR23

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N/A

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Proteasome

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Free Base

>  <CAS> (170)
1624602-30-7

>  <URL> (170)
http://www.selleckchem.com/products/vr23.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (171)
171

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C8H16O2

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S3944

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Valproic acid

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2-Propylvaleric Acid, Sodium valproate

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HDAC1

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free base

>  <CAS> (171)
99-66-1

>  <URL> (171)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
WT161.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (172)
172

>  <Formula> (172)
C27H30N4O3

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458.5521

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S8495

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WT161

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N/A

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HDAC1,2,6

>  <Form> (172)
free base

>  <CAS> (172)
1206731-57-8

>  <URL> (172)
http://www.selleckchem.com/products/wt161.html

$$$$
NSC 405020.cdx
csChFnd80/04022413592D

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173

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C12H15Cl2NO

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S8072

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NSC 405020

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STK029746

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MMP

>  <Form> (173)
Free Base

>  <CAS> (173)
2044451

>  <URL> (173)
http://www.selleckchem.com/products/nsc-405020.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/04022413592D

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174

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C15H11ClN2OS

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SKI II

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SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (174)
S1P Receptor

>  <Form> (174)
Free Base

>  <CAS> (174)
312636-16-1

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

$$$$
RGFP966.cdx
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>  <Mol_ID> (175)
175

>  <Formula> (175)
C21H19FN4O

>  <MolWeight> (175)
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RGFP966

>  <Synonyms> (175)
N/A

>  <Target> (175)
HDAC

>  <Form> (175)
Free Base

>  <CAS> (175)
1396841-57-8

>  <URL> (175)
http://www.selleckchem.com/products/rgfp966.html

$$$$
bentiromide.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (176)
176

>  <Formula> (176)
C23H20N2O5

>  <MolWeight> (176)
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>  <Cat> (176)
S4388

>  <Name> (176)
bentiromide

>  <Synonyms> (176)
N/A

>  <Target> (176)
Others

>  <Form> (176)
Free Base

>  <CAS> (176)
37106-97-1

>  <URL> (176)
http://www.selleckchem.com/products/bentiromide.html

$$$$
terfenadine.cdx
csChFnd80/04022413592D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (177)
177

>  <Formula> (177)
C32H41NO2

>  <MolWeight> (177)
471.67344

>  <Cat> (177)
S4353

>  <Name> (177)
terfenadine

>  <Synonyms> (177)
N/A

>  <Target> (177)
Others

>  <Form> (177)
Free Base

>  <CAS> (177)
50679-08-8

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

$$$$
Tasisulam (LY573636).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (178)
178

>  <Formula> (178)
C11H6BrCl2NO3S2

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Tasisulam (LY573636)

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LY573636

>  <Target> (178)
Caspase

>  <Form> (178)
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>  <CAS> (178)
519055-62-0

>  <URL> (178)
http://www.selleckchem.com/products/tasisulam.html

$$$$
RG2833 (RGFP109).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (179)
179

>  <Formula> (179)
C20H25N3O2

>  <MolWeight> (179)
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RG2833 (RGFP109)

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N/A

>  <Target> (179)
HDAC

>  <Form> (179)
Free Base

>  <CAS> (179)
1215493-56-3

>  <URL> (179)
http://www.selleckchem.com/products/rg2833-rgfp109.html

$$$$
FLI-06.cdx
csChFnd80/04022413592D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.2746    9.1000    0.0000 N   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
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 27 28  1  0  0  0  0
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 27 32  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C25H30N2O5

>  <MolWeight> (180)
438.5161

>  <Cat> (180)
S7399

>  <Name> (180)
FLI-06

>  <Synonyms> (180)
N/A

>  <Target> (180)
Gamma-secretase

>  <Form> (180)
Free Base

>  <CAS> (180)
313967-18-9

>  <URL> (180)
http://www.selleckchem.com/products/fli-06.html

$$$$
Atglistatin.cdx
csChFnd80/04022413592D

 21 22  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
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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    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
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 11 12  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C17H21N3O

>  <MolWeight> (181)
283.36814

>  <Cat> (181)
S7364

>  <Name> (181)
Atglistatin

>  <Synonyms> (181)
N/A

>  <Target> (181)
Lipase

>  <Form> (181)
Free Base

>  <CAS> (181)
1469924-27-3

>  <URL> (181)
http://www.selleckchem.com/products/atglistatin.html

$$$$
LM-3229 ME 0328.cdx
csChFnd80/04022413592D

 24 26  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
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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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C19H19N3O2

>  <MolWeight> (182)
321.37306

>  <Cat> (182)
S7438

>  <Name> (182)
ME0328

>  <Synonyms> (182)
N/A

>  <Target> (182)
PARP

>  <Form> (182)
Free Base

>  <CAS> (182)
1445251-22-8

>  <URL> (182)
http://www.selleckchem.com/products/me0328.html

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
csChFnd80/04022413592D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.2540    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8499    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5530    4.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  2  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  1  0  0  0
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M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C17H30N2O5

>  <MolWeight> (183)
342.4305

>  <Cat> (183)
S7393

>  <Name> (183)
E-64d(Aloxistatin,Loxistatin£©

>  <Synonyms> (183)
E-64d

>  <Target> (183)
Cysteine Protease

>  <Form> (183)
Free Base

>  <CAS> (183)
88321-09-9

>  <URL> (183)
http://www.selleckchem.com/products/Aloxistatin.html

$$$$
LM-3267.cdx
csChFnd80/04022413592D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 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
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 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C19H23N3O3

>  <MolWeight> (184)
341.40422

>  <Cat> (184)
S7473

>  <Name> (184)
Nexturastat A

>  <Synonyms> (184)
N/A

>  <Target> (184)
Nexturastat A

>  <Form> (184)
Free Base

>  <CAS> (184)
1403783-31-2

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

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (185)
185

>  <Formula> (185)
C15H26N2O5

>  <MolWeight> (185)
314.37734

>  <Cat> (185)
S7392

>  <Name> (185)
Loxistatin Acid (E-64C)

>  <Synonyms> (185)
NSC 694279, EP 475

>  <Target> (185)
Cysteine Protease

>  <Form> (185)
Free Base

>  <CAS> (185)
76684-89-4

>  <URL> (185)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

$$$$
Z-FA-FMK.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (186)
186

>  <Formula> (186)
C21H23FN2O4

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386.4167232

>  <Cat> (186)
S7391

>  <Name> (186)
Z-FA-FMK

>  <Synonyms> (186)
N/A

>  <Target> (186)
Cysteine Protease

>  <Form> (186)
Free Base

>  <CAS> (186)
197855-65-5

>  <URL> (186)
http://www.selleckchem.com/products/z-fa-fmk.html

$$$$
ML323.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (187)
187

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ML323

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N/A

>  <Target> (187)
DUB

>  <Form> (187)
Free Base

>  <CAS> (187)
1572414-83-5

>  <URL> (187)
http://www.selleckchem.com/products/ml323.html

$$$$
AZD9668.cdx
csChFnd80/04022413592D

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Alvelestat (AZD9668£©

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Serine Protease

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Free Base

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848141-11-7

>  <URL> (188)
http://www.selleckchem.com/products/avelestat-azd9668.html

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   10.6331    8.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1216    9.4016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7373    9.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9945   10.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0  0  0  0
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 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C21H24N4O4

>  <MolWeight> (189)
396.43966

>  <Cat> (189)
S7192

>  <Name> (189)
PF-04620110

>  <Synonyms> (189)
N/A

>  <Target> (189)
Transferase

>  <Form> (189)
Free Base

>  <CAS> (189)
1109276-89-2

>  <URL> (189)
http://www.selleckchem.com/products/pf-04620110.html

$$$$
PI-1840.cdx
csChFnd80/04022413592D

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    0.0000    3.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6158    6.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4220    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1685    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5608    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3837    1.1326    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 15 20  2  0  0  0  0
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 29 24  1  0  0  0  0
M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C22H26N4O3

>  <MolWeight> (190)
394.46684

>  <Cat> (190)
S7462

>  <Name> (190)
PI-1840

>  <Synonyms> (190)
N/A

>  <Target> (190)
Proteasome

>  <Form> (190)
Free Base

>  <CAS> (190)
1401223-22-0

>  <URL> (190)
http://www.selleckchem.com/products/pi-1840.html

$$$$
AEBSF hydrochloride .cdx
csChFnd80/04022413592D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    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  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  2  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C8H11ClFNO2S

>  <MolWeight> (191)
239.6948432

>  <Cat> (191)
S7378

>  <Name> (191)
AEBSF HCl

>  <Synonyms> (191)
N/A

>  <Target> (191)
Serine Protease

>  <Form> (191)
Hydrochloride

>  <CAS> (191)
30827-99-7

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

$$$$
MALT1 inhibitor.cdx
csChFnd80/04022413592D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.9558    3.1249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C19H17Cl3N4O3

>  <MolWeight> (192)
455.72228

>  <Cat> (192)
S7429

>  <Name> (192)
MI-2 (MALT1 inhibitor)

>  <Synonyms> (192)
N/A

>  <Target> (192)
MALT

>  <Form> (192)
Free Base

>  <CAS> (192)
1047953-91-2

>  <URL> (192)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

$$$$
TAPI-1.cdx
csChFnd80/04022413592D

 36 37  0  0  0  0  0  0  0  0999 V2000
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  2  0  0  0  0
M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C26H37N5O5

>  <MolWeight> (193)
499.60248

>  <Cat> (193)
S7434

>  <Name> (193)
TAPI-1

>  <Synonyms> (193)
N/A

>  <Target> (193)
Others

>  <Form> (193)
Free Base

>  <CAS> (193)
171235-71-5

>  <URL> (193)
http://www.selleckchem.com/products/tapi-1.html

$$$$
Leupeptin hemisulfate .cdx
csChFnd80/04022413592D

 32 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    8.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.6309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.5309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  6  0  0  0
 14  9  1  0  0  0  0
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 25 31  2  0  0  0  0
A   32
1/2H2SO4
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C20H38N6O4R

>  <MolWeight> (194)
426.55352

>  <Cat> (194)
S7380

>  <Name> (194)
Leupeptin Hemisulfate

>  <Synonyms> (194)
N/A

>  <Target> (194)
Serine Protease

>  <Form> (194)
Free Base

>  <CAS> (194)
103476-89-7

>  <URL> (194)
http://www.selleckchem.com/products/leupeptin-hemisulfate.html

$$$$
TMP269.cdx
csChFnd80/04022413592D

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.2205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0703    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4951    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6277    4.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0180    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4104    6.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2333    7.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  7 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  2  0  0  0  0
 26  7  1  0  0  0  0
 25 27  1  0  0  0  0
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 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C25H21F3N4O3S

>  <MolWeight> (195)
514.5194496

>  <Cat> (195)
S7324

>  <Name> (195)
TMP269

>  <Synonyms> (195)
N/A

>  <Target> (195)
HDAC

>  <Form> (195)
Free Base

>  <CAS> (195)
1314890-29-3

>  <URL> (195)
http://www.selleckchem.com/products/tmp269.html

$$$$
Pepstatin A.cdx
csChFnd80/04022413592D

 48 47  0  0  0  0  0  0  0  0999 V2000
   20.6114    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C34H63N5O9

>  <MolWeight> (196)
685.89212

>  <Cat> (196)
S7381

>  <Name> (196)
Pepstatin A

>  <Synonyms> (196)
N/A

>  <Target> (196)
HIV Protease

>  <Form> (196)
Free Base

>  <CAS> (196)
26305-03-3

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

$$$$
SB-3CT.cdx
csChFnd80/04022413592D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (197)
197

>  <Formula> (197)
C15H14O3S2

>  <MolWeight> (197)
306.39986

>  <Cat> (197)
S7430

>  <Name> (197)
SB-3CT

>  <Synonyms> (197)
N/A

>  <Target> (197)
MMP

>  <Form> (197)
Free Base

>  <CAS> (197)
292605-14-2

>  <URL> (197)
http://www.selleckchem.com/products/sb-3ct.html

$$$$
PD 151746 .cdx
csChFnd80/04022413592D

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>  <Mol_ID> (198)
198

>  <Formula> (198)
C11H8FNO2S

>  <MolWeight> (198)
237.2501232

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S7424

>  <Name> (198)
PD 151746

>  <Synonyms> (198)
N/A

>  <Target> (198)
Cysteine Protease

>  <Form> (198)
Free Base

>  <CAS> (198)
179461-52-0

>  <URL> (198)
http://www.selleckchem.com/products/pd-151746.html

$$$$
Phosphoramidon disodium salt.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (199)
199

>  <Formula> (199)
C23H34N3Na2O10P

>  <MolWeight> (199)
589.483461

>  <Cat> (199)
S7382

>  <Name> (199)
Phosphoramidon Disodium Salt

>  <Synonyms> (199)
N/A

>  <Target> (199)
Others

>  <Form> (199)
Disodium Salt

>  <CAS> (199)
164204-38-0

>  <URL> (199)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (200)
200

>  <Formula> (200)
C15H22N2O3

>  <MolWeight> (200)
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>  <Cat> (200)
S7595

>  <Name> (200)
Santacruzamate A (CAY10683)

>  <Synonyms> (200)
N/A

>  <Target> (200)
HDAC

>  <Form> (200)
Free Base

>  <CAS> (200)
1477949-42-0

>  <URL> (200)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
Z-DEVD-FMK.cdx
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M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C31H42FN3O12

>  <MolWeight> (201)
667.6764832

>  <Cat> (201)
S7312

>  <Name> (201)
Z-DEVD-FMK

>  <Synonyms> (201)
Caspase-3 Inhibitor

>  <Target> (201)
Caspase

>  <Form> (201)
Free Base

>  <CAS> (201)
210344-95-9

>  <URL> (201)
http://www.selleckchem.com/products/z-devd-fmk.html

$$$$
Tasquinimod .cdx
csChFnd80/04022413592D

 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
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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
  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
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 17 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 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> (202)
202

>  <Formula> (202)
C20H17F3N2O4

>  <MolWeight> (202)
406.3551896

>  <Cat> (202)
S7617

>  <Name> (202)
Tasquinimod

>  <Synonyms> (202)
ABR-215050

>  <Target> (202)
HDAC

>  <Form> (202)
Free Base

>  <CAS> (202)
254964-60-8

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

$$$$
Anacardic Acid.cdx
csChFnd80/04022413592D

 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> (203)
203

>  <Formula> (203)
C22H36O3

>  <MolWeight> (203)
348.51944

>  <Cat> (203)
S7582

>  <Name> (203)
Anacardic Acid

>  <Synonyms> (203)
6-pentadecylsalicylic Acid

>  <Target> (203)
Histone Acetyltransferase

>  <Form> (203)
Free Base

>  <CAS> (203)
16611-84-0

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

$$$$
MG 101.cdx
csChFnd80/04022413592D

 28 27  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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  2  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
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   10.9119    4.2000    0.0000 C   0  0  1  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
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   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 14 20  1  0  0  0  0
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 12 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C20H37N3O4

>  <MolWeight> (204)
383.52548

>  <Cat> (204)
S7386

>  <Name> (204)
MG-101 (ALLN)

>  <Synonyms> (204)
Calpain inhibitor-1

>  <Target> (204)
Cysteine Protease

>  <Form> (204)
Oxalate

>  <CAS> (204)
110044-82-1

>  <URL> (204)
http://www.selleckchem.com/products/mg-101-alln.html

$$$$
Splitomicin.cdx
csChFnd80/04022413592D

 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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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C13H10O2

>  <MolWeight> (205)
198.2173

>  <Cat> (205)
S7593

>  <Name> (205)
Splitomicin

>  <Synonyms> (205)
N/A

>  <Target> (205)
Sirtuin

>  <Form> (205)
Free Base

>  <CAS> (205)
1384339

>  <URL> (205)
http://www.selleckchem.com/products/splitomicin.html

$$$$
GSK650394.cdx
csChFnd80/04022413592D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 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 25  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C25H22N2O2

>  <MolWeight> (206)
382.45438

>  <Cat> (206)
S7209

>  <Name> (206)
GSK650394

>  <Synonyms> (206)
N/A

>  <Target> (206)
Others

>  <Form> (206)
Free Base

>  <CAS> (206)
890842-28-1

>  <URL> (206)
http://www.selleckchem.com/products/gsk650394.html

$$$$
Heparin sodium.cdx
csChFnd80/04022413592D

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    4.0481    1.5024    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    7.3741    3.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7746    5.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   27.6615    4.3843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0076    4.0295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.3077    5.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9533    4.8872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
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  5  6  1  0  0  0  0
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  4 17  1  6  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  1  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
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 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
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 36 39  1  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 32 43  1  0  0  0  0
 43 44  1  0  0  0  0
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 44 47  1  0  0  0  0
 33 48  1  6  0  0  0
 48 49  1  0  0  0  0
 49 50  1  1  0  0  0
 50 51  1  1  0  0  0
 52 51  1  1  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 49  1  0  0  0  0
 50 55  1  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  2  0  0  0  0
 51 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
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 52 64  1  0  0  0  0
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 65 66  1  1  0  0  0
 67 66  1  1  0  0  0
 68 67  1  1  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
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 79 80  1  0  0  0  0
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A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C33H47N3O39R4S6-8

>  <MolWeight> (207)
1302.11298

>  <Cat> (207)
S1346

>  <Name> (207)
Heparin sodium

>  <Synonyms> (207)
N/A

>  <Target> (207)
Others

>  <Form> (207)
Sodium salt

>  <CAS> (207)
2608411

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

$$$$
PJ34.cdx
csChFnd80/04022413592D

 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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 10 15  2  0  0  0  0
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 18 19  1  0  0  0  0
 17 21  2  0  0  0  0
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 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C17H18ClN3O2

>  <MolWeight> (208)
331.79672

>  <Cat> (208)
S7300

>  <Name> (208)
PJ34 hcl

>  <Synonyms> (208)
N/A

>  <Target> (208)
PARP

>  <Form> (208)
Hydrochloride

>  <CAS> (208)
344458-15-7

>  <URL> (208)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
3469-LCZ696.cdx
csChFnd80/04022413592D

 66 65  0  0  0  0  0  0  0  0999 V2000
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A   66
5/2H2O
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C48H58N6Na3O8R+3

>  <MolWeight> (209)
915.97883

>  <Cat> (209)
S7678

>  <Name> (209)
LCZ696

>  <Synonyms> (209)
N/A

>  <Target> (209)
RAAS

>  <Form> (209)
Sodium salt hydrate

>  <CAS> (209)
936623-90-4

>  <URL> (209)
http://www.selleckchem.com/products/lcz696.html

$$$$
Ledipasvir (GS5885) .cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C49H54F2N8O6

>  <MolWeight> (210)
888.9998664

>  <Cat> (210)
S7579

>  <Name> (210)
Ledipasvir (GS5885)

>  <Synonyms> (210)
N/A

>  <Target> (210)
HCV Protease

>  <Form> (210)
Free Base

>  <CAS> (210)
1256388-51-8

>  <URL> (210)
http://www.selleckchem.com/products/ledipasvir-gs5885.html

$$$$
CAY10603.cdx
csChFnd80/04022413592D

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1418033-25-6

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1429651-50-2

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HDAC

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910462-43-0

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A   27
(S)-2-(3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid
M  END
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215

>  <Formula> (215)
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Lipase

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>  <CAS> (215)
1515856-92-4

>  <URL> (215)
http://www.selleckchem.com/products/xen445.html

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N/A

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Cysteine Protease

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Free Base

>  <CAS> (216)
117591-20-5

>  <URL> (216)
http://www.selleckchem.com/products/calpeptin.html

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>  <Formula> (217)
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N/A

>  <Target> (217)
HDAC

>  <Form> (217)
Free Base

>  <CAS> (217)
1440209-96-0

>  <URL> (217)
http://www.selleckchem.com/products/brd73954.html

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N/A

>  <Target> (218)
Glutaminase

>  <Form> (218)
Free Base

>  <CAS> (218)
1439399-58-2

>  <URL> (218)
http://www.selleckchem.com/products/cb-839.html

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>  <URL> (220)
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HDAC

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Free Base

>  <CAS> (221)
926259-99-6

>  <URL> (221)
http://www.selleckchem.com/products/bg45.html

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BPTES

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N/A

>  <Target> (222)
Glutaminase

>  <Form> (222)
Free Base

>  <CAS> (222)
314045-39-1

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

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N/A

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Gamma-secretase

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Free Base

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292632-98-5

>  <URL> (223)
http://www.selleckchem.com/products/l-685-458.html

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>  <URL> (224)
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M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C21H28FN3O7

>  <MolWeight> (225)
453.4613232

>  <Cat> (225)
S8102

>  <Name> (225)
Z-VAD(OH)-FMK

>  <Synonyms> (225)
N/A

>  <Target> (225)
Caspase

>  <Form> (225)
Free Base

>  <CAS> (225)
161401-82-7

>  <URL> (225)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

$$$$
Q-VD-OPh.cdx
csChFnd80/04022413592D

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 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
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 31 36  1  0  0  0  0
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M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C26H25F2N3O6

>  <MolWeight> (226)
513.4900064

>  <Cat> (226)
S7311

>  <Name> (226)
Q-VD-Oph

>  <Synonyms> (226)
N/A

>  <Target> (226)
Caspase

>  <Form> (226)
Free Base

>  <CAS> (226)
1135695-98-5

>  <URL> (226)
http://www.selleckchem.com/products/q-vd-oph.html

$$$$
Sivelestat (ONO-5046).cdx
csChFnd80/04022413592D

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  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C20H22N2O7S

>  <MolWeight> (227)
434.46288

>  <Cat> (227)
S8136

>  <Name> (227)
Sivelestat (ONO-5046)

>  <Synonyms> (227)
ONO5046, LY544349, EI546

>  <Target> (227)
Serine Protease

>  <Form> (227)
Free Base

>  <CAS> (227)
127373-66-4

>  <URL> (227)
http://www.selleckchem.com/products/sivelestat-ono-5046.html

$$$$
FPS-ZM1.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C20H22ClNO

>  <MolWeight> (228)
327.84778

>  <Cat> (228)
S8185

>  <Name> (228)
FPS-ZM1

>  <Synonyms> (228)
N/A

>  <Target> (228)
Others

>  <Form> (228)
Free Base

>  <CAS> (228)
945714-67-0

>  <URL> (228)
http://www.selleckchem.com/products/fps-zm1.html

$$$$
IMR-1.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (229)
229

>  <Formula> (229)
C15H15NO5S2

>  <MolWeight> (229)
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>  <Cat> (229)
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IMR-1

>  <Synonyms> (229)
N/A

>  <Target> (229)
Gamma-secretase

>  <Form> (229)
Free Base

>  <CAS> (229)
310456-65-6

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

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (230)
230

>  <Formula> (230)
C26H27F4N3O7

>  <MolWeight> (230)
569.5020928

>  <Cat> (230)
S7775

>  <Name> (230)
Emricasan (IDN-6556, PF-03491390)

>  <Synonyms> (230)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (230)
Caspase

>  <Form> (230)
Free Base

>  <CAS> (230)
254750-02-2

>  <URL> (230)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (231)
231

>  <Formula> (231)
C26H28N4O4S

>  <MolWeight> (231)
492.58992

>  <Cat> (231)
S7625

>  <Name> (231)
MK-4827(Niraparib) tosylate

>  <Synonyms> (231)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (231)
PARP

>  <Form> (231)
4-?methylbenzen

>  <CAS> (231)
1038915-73-9

>  <URL> (231)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
ITSA-1 (ITSA1).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (232)
232

>  <Formula> (232)
C13H7Cl2N3O

>  <MolWeight> (232)
292.12018

>  <Cat> (232)
S8323

>  <Name> (232)
ITSA-1 (ITSA1)

>  <Synonyms> (232)
N/A

>  <Target> (232)
HDAC

>  <Form> (232)
Free Base

>  <CAS> (232)
200626-61-5

>  <URL> (232)
http://www.selleckchem.com/products/itsa-1-itsa1.html

$$$$
Epoxomicin.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C28H50N4O7

>  <MolWeight> (233)
554.7192

>  <Cat> (233)
S7038

>  <Name> (233)
Epoxomicin (BU-4061T)

>  <Synonyms> (233)
N/A

>  <Target> (233)
Proteasome

>  <Form> (233)
Free Base

>  <CAS> (233)
134381-21-8

>  <URL> (233)
http://www.selleckchem.com/products/epoxomicin-bu-4061t.html

$$$$

csChFnd80/04022413592D

  1  0  0  0  0  0  0  0  0  0999 V2000
   37.5250  -34.7750    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No structure
M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
R

>  <Cat> (234)
S7377

>  <Name> (234)
Aprotinin

>  <Synonyms> (234)
N/A

>  <Target> (234)
Serine Protease

>  <CAS> (234)
9087-70-1

>  <URL> (234)
http://www.selleckchem.com/products/aprotinin.html

$$$$
Verubecestat (MK-8931).cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C19H18F5N5O5S

>  <MolWeight> (235)
523.433736

>  <Cat> (235)
S8173

>  <Name> (235)
Verubecestat (MK-8931) Trifluoroacetat

>  <Synonyms> (235)
MK-8931

>  <Target> (235)
BACE

>  <Form> (235)
Trifluoroacetat

>  <CAS> (235)
1286770-55-5(free base)

>  <URL> (235)
http://www.selleckchem.com/products/verubecestat-mk-8931.html

$$$$
Shikonin.cdx
csChFnd80/04022413592D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C16H16O5

>  <MolWeight> (236)
288.29524

>  <Cat> (236)
S8279

>  <Name> (236)
Shikonin

>  <Synonyms> (236)
N/A

>  <Target> (236)
Others

>  <Form> (236)
Free Base

>  <CAS> (236)
517-89-5

>  <URL> (236)
http://www.selleckchem.com/products/shikonin.html

$$$$

csChFnd80/04022413592D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 25 23  2  0  0  0  0
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M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C20H25N3O2

>  <MolWeight> (237)
339.4314

>  <Cat> (237)
S1073

>  <Name> (237)
BML210/CAY10433

>  <Synonyms> (237)
N/A

>  <Target> (237)
HDAC

>  <Form> (237)
Free Base

>  <CAS> (237)
537034-17-6

>  <URL> (237)
http://www.selleck.cn/products/bml210-cay10433.html

$$$$
BGP-15.cdx
csChFnd80/04022413592D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C14H24Cl2N4O2

>  <MolWeight> (238)
351.27196

>  <Cat> (238)
S8370

>  <Name> (238)
BGP-15 2HCl

>  <Synonyms> (238)
N/A

>  <Target> (238)
PARP

>  <Form> (238)
dihydrochloride

>  <CAS> (238)
66611-37-8

>  <URL> (238)
http://www.selleckchem.com/products/bgp-15.html

$$$$
CA-074 methyl ester.cdx
csChFnd80/04022413592D

 28 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (239)
239

>  <Formula> (239)
C19H31N3O6

>  <MolWeight> (239)
397.46594

>  <Cat> (239)
S7420

>  <Name> (239)
CA-074 methyl ester (CA-074 Me)

>  <Synonyms> (239)
Cathepsin B Inhibitor IV

>  <Target> (239)
Cysteine Protease

>  <Form> (239)
Free Base

>  <CAS> (239)
147859-80-1

>  <URL> (239)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

$$$$
AZD3293 (LY3314814).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (240)
240

>  <Formula> (240)
C26H28N4O

>  <MolWeight> (240)
412.52672

>  <Cat> (240)
S8193

>  <Synonyms> (240)
N/A

>  <Target> (240)
BACE

>  <Form> (240)
Free Base

>  <CAS> (240)
1383982-64-6

>  <URL> (240)
http://www.selleckchem.com/products/azd3293-ly3314814.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/04022413592D

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>  <Mol_ID> (241)
241

>  <Formula> (241)
C10H9NaO4

>  <MolWeight> (241)
216.16583

>  <Cat> (241)
S4740

>  <Name> (241)
Sodium ferulate

>  <Synonyms> (241)
Ferulic acid sodium salt

>  <Target> (241)
Thrombin

>  <Form> (241)
Sodium salt

>  <CAS> (241)
24276-84-4

>  <URL> (241)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

$$$$
LY3039478.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (242)
242

>  <Formula> (242)
C22H23F3N4O4

>  <MolWeight> (242)
464.4376296

>  <Cat> (242)
S7169

>  <Name> (242)
LY3039478

>  <Synonyms> (242)
N/A

>  <Target> (242)
Gamma-secretase

>  <Form> (242)
Free Base

>  <CAS> (242)
1421438-81-4

>  <URL> (242)
http://www.selleckchem.com/products/ly3039478.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/04022413592D

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>  <Cat> (243)
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>  <Name> (243)
UK-371804 HCl

>  <Synonyms> (243)
UK-371804 HCl

>  <Target> (243)
Serine Protease

>  <Form> (243)
hydrochloride

>  <CAS> (243)
256476-36-5

>  <URL> (243)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
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>  <Name> (244)
Citarinostat (ACY-241)

>  <Synonyms> (244)
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>  <Target> (244)
HDAC

>  <Form> (244)
Free Base

>  <CAS> (244)
1316215-12-9

>  <URL> (244)
http://www.selleckchem.com/products/citarinostat-acy-241.html

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PARP

>  <Form> (245)
Free Base

>  <CAS> (245)
1140964-99-3

>  <URL> (245)
http://www.selleckchem.com/products/e7449.html

$$$$
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>  <CAS> (246)
1262417-51-5

>  <URL> (246)
http://www.selleckchem.com/products/nms-p118.html

$$$$
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1431280-51-1

>  <URL> (247)
http://www.selleckchem.com/products/vlx1570.html

$$$$
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Caspase

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free base

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169332-60-9

>  <URL> (248)
http://www.selleckchem.com/products/ac-devd-cho.html

$$$$
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Verubecestat (MK-8931)

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N/A

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BACE2 ,BACE1

>  <Form> (249)
free base

>  <CAS> (249)
1286770-55-5

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

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

>  <Target> (250)
DPP-4

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free base
free base

>  <CAS> (250)
1226781-44-7

>  <URL> (250)
http://www.selleckchem.com/products/omarigliptin-mk-3102.html

$$$$
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HDAC9,HDAC7,HDAC4,HDAC5

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1314891-22-9

>  <URL> (251)
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$$$$
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C22H19FN4O2

>  <MolWeight> (252)
390.4102632

>  <Cat> (252)
S8567

>  <Name> (252)
Tucidinostat (Chidamide)

>  <Synonyms> (252)
HBI-8000, CS-055

>  <Target> (252)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (252)
free base

>  <CAS> (252)
743420-02-2

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

$$$$
R-IMPP.cdx
csChFnd80/04022413592D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C24H27N3O2

>  <MolWeight> (253)
389.49008

>  <Cat> (253)
S8420

>  <Name> (253)
R-IMPP

>  <Synonyms> (253)
N/A

>  <Target> (253)
PCSK9 

>  <Form> (253)
free base

>  <CAS> (253)
no cas

>  <URL> (253)
http://www.selleckchem.com/products/r-impp.html

$$$$
ACY-738.cdx
csChFnd80/04022413592D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20  7  1  0  0  0  0
M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C14H14N4O2

>  <MolWeight> (254)
270.28656

>  <Cat> (254)
S8648

>  <Name> (254)
ACY-738

>  <Synonyms> (254)
N/A

>  <Target> (254)
HDAC6

>  <Form> (254)
free base

>  <CAS> (254)
1375465-91-0

>  <URL> (254)
http://www.selleckchem.com/products/acy-738.html

$$$$
S5174 Kojic acid.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C6H6O4

>  <MolWeight> (255)
142.10944

>  <Cat> (255)
S5174

>  <Name> (255)
Kojic acid

>  <Synonyms> (255)
N/A

>  <Target> (255)
Tyrosinase

>  <Form> (255)
free base

>  <CAS> (255)
501-30-4

>  <URL> (255)
http://www.selleckchem.com/products/kojic-acid.html

$$$$
S5159 Doxycycline.cdx
csChFnd80/04022413592D

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 27 30  1  0  0  0  0
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  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C22H24N2O8

>  <MolWeight> (256)
444.43456

>  <Cat> (256)
S5159

>  <Name> (256)
Doxycycline

>  <Synonyms> (256)
Vibramycin, Doxytetracycline, Doxiciclina, Doxycyclinum

>  <Target> (256)
Antifection

>  <Form> (256)
free base

>  <CAS> (256)
564-25-0

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

$$$$
NGP 555.cdx
csChFnd80/04022413592D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C23H23FN4S

>  <MolWeight> (257)
406.5189232

>  <Cat> (257)
S8603

>  <Name> (257)
NGP 555

>  <Synonyms> (257)
N/A

>  <Target> (257)
¦Ã-secretase

>  <Form> (257)
free base

>  <CAS> (257)
1304630-27-0

>  <URL> (257)
http://www.selleckchem.com/products/npg-555.html

$$$$
S4930 Cetilistat.cdx
csChFnd80/04022413592D

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 10  4  1  0  0  0  0
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 11  7  2  0  0  0  0
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M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C25H39NO3

>  <MolWeight> (258)
401.58206

>  <Cat> (258)
S4930

>  <Name> (258)
Cetilistat

>  <Synonyms> (258)
ATL962

>  <Target> (258)
pancreatic lipase

>  <Form> (258)
free base

>  <CAS> (258)
282526-98-1

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

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (259)
259

>  <Formula> (259)
C40H52Cl2N8O6

>  <MolWeight> (259)
811.79688

>  <Cat> (259)
S5062

>  <Name> (259)
Daclatasvir Digydrochloride

>  <Synonyms> (259)
N/A

>  <Target> (259)
HCV Protease

>  <Form> (259)
dihydrochloride 

>  <CAS> (259)
1009119-65-6

>  <URL> (259)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/04022413592D

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 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  6  0  0  0
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 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
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 31 34  2  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C23H38N6O6S

>  <MolWeight> (260)
526.64942

>  <Cat> (260)
S5074

>  <Name> (260)
Argatroban Monohydrate

>  <Synonyms> (260)
Argatroban hydrate, Argipidine

>  <Target> (260)
Thrombin

>  <CAS> (260)
141396-28-3

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

$$$$
S5079 Sitagliptin.cdx
csChFnd80/04022413592D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.4915    2.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5345    4.9120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9367    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7253    4.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5129    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
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 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
  7 18  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  1  0  0  0  0
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M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C16H15F6N5O

>  <MolWeight> (261)
407.3136192

>  <Cat> (261)
S5079

>  <Name> (261)
Sitagliptin

>  <Synonyms> (261)
MK-0431

>  <Target> (261)
DPP-4

>  <Form> (261)
free base

>  <CAS> (261)
486460-32-6

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

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/04022413592D

 33 34  0  0  0  0  0  0  0  0999 V2000
   10.8839    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8869    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  3  1  0  0  0  0
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 21  5  1  0  0  0  0
 18  6  2  0  0  0  0
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 12  8  1  0  0  0  0
 15  9  1  0  0  0  0
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 30 11  1  0  0  0  0
 31 11  1  0  0  0  0
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 28 24  1  0  0  0  0
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M  END
>  <Mol_ID> (262)
262

>  <Formula> (262)
C20H20FKN6O5

>  <MolWeight> (262)
482.5067032

>  <Cat> (262)
S5245

>  <Name> (262)
Raltegravir potassium

>  <Synonyms> (262)
N/A

>  <Target> (262)
Integrase,HIV Protease

>  <Form> (262)
potassium salt

>  <CAS> (262)
871038-72-1

>  <URL> (262)
http://selleckchem.com/products/raltegravir-potassium.html

$$$$
S5307 2'-deoxy-2'-fluoro-2'-C-methyluridine.cdx
csChFnd80/04022413592D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.5635    5.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    4.1921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C10H13FN2O5

>  <MolWeight> (263)
260.2190232

>  <Cat> (263)
S5307

>  <Name> (263)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Synonyms> (263)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Target> (263)
HCV Protease

>  <Form> (263)
free base

>  <CAS> (263)
863329-66-2

>  <URL> (263)
http://selleckchem.com/products/psi-6206-ro-2433-gs-331007.html

$$$$
S5403 Ombitasvir(ABT-267).cdx
csChFnd80/04022413592D

 65 70  0  0  0  0  0  0  0  0999 V2000
    4.8501    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C50H67N7O8

>  <MolWeight> (264)
894.10908

>  <Cat> (264)
S5403

>  <Name> (264)
Ombitasvir(ABT-267)

>  <Synonyms> (264)
N/A

>  <Target> (264)
HCV Protease

>  <Form> (264)
free base

>  <CAS> (264)
1258226-87-7

>  <URL> (264)
http://selleckchem.com/products/ombitasvir-abt-267.html

$$$$
S5404 Paritaprevir(ABT-450).cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C40H43N7O7S

>  <MolWeight> (265)
765.87712

>  <Cat> (265)
S5404

>  <Name> (265)
Paritaprevir(ABT-450)

>  <Synonyms> (265)
N/A

>  <Target> (265)
HCV Protease

>  <Form> (265)
free base

>  <CAS> (265)
1216941-48-8

>  <URL> (265)
http://selleckchem.com/products/paritaprevir-abt-450.html

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C26H27N3O5S

>  <MolWeight> (266)
493.57468

>  <Cat> (266)
S5402

>  <Synonyms> (266)
N/A

>  <Target> (266)
HCV Protease

>  <Form> (266)
free base

>  <CAS> (266)
1132935-63-7

>  <URL> (266)
http://selleckchem.com/products/dasabuvir-abt-333.html

$$$$
S5252 Ozagrel sodium.cdx
csChFnd80/04022413592D

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 10 13  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C13H11N2NaO2

>  <MolWeight> (267)
250.22841

>  <Cat> (267)
S5252

>  <Name> (267)
Ozagrel sodium

>  <Synonyms> (267)
KCT-0809, Cataclot, Xanbo 

>  <Target> (267)
Thrombin

>  <CAS> (267)
189224-26-8

>  <URL> (267)
http://selleckchem.com/products/ozagrel-sodium.html

$$$$
S5250 Darunavir.cdx
csChFnd80/04022413592D

 40 43  0  0  0  0  0  0  0  0999 V2000
    4.8415    5.9368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540    6.6368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6896    1.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4603    2.3334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2667    5.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3780    1.2620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1166    1.7358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4782    2.4352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6017    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9031    2.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5499    3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9125    6.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9101    8.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6861    8.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5423    3.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2811    0.1922    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
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
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 16  2  1  0  0  0  0
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 26  4  1  0  0  0  0
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 11  5  1  0  0  0  0
 18  6  1  0  0  0  0
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  6  9  1  0  0  0  0
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 17  7  1  0  0  0  0
 12  8  1  0  0  0  0
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 21 10  1  0  0  0  0
 22 10  2  0  0  0  0
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 31 16  1  0  0  0  0
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 27 20  1  0  0  0  0
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 29 22  1  0  0  0  0
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 30 26  1  0  0  0  0
 32 27  1  0  0  0  0
 33 27  2  0  0  0  0
 34 31  1  0  0  0  0
 35 31  1  0  0  0  0
 36 32  2  0  0  0  0
 37 33  1  0  0  0  0
 36 38  1  0  0  0  0
 38 37  2  0  0  0  0
M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C27H37N3O7S

>  <MolWeight> (268)
547.66358

>  <Cat> (268)
S5250

>  <Name> (268)
Darunavir

>  <Synonyms> (268)
TMC114

>  <Target> (268)
HIV Protease

>  <Form> (268)
free base

>  <CAS> (268)
206361-99-1

>  <URL> (268)
http://selleckchem.com/products/darunavir.html

$$$$
S5286 Ramatroban.cdx
csChFnd80/04022413592D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.9247    5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    6.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    6.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    3.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367    3.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700    5.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0240    7.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3456    5.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1611    2.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3494    4.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3648    0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4591    6.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3514    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7475    8.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8473    6.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4477    9.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5476    8.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    9.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5420   10.6207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  6  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (269)
269

>  <Formula> (269)
C21H21FN2O4S

>  <MolWeight> (269)
416.4658432

>  <Cat> (269)
S5286

>  <Name> (269)
Ramatroban

>  <Synonyms> (269)
BAY u 3405

>  <Target> (269)
Thrombin

>  <Form> (269)
free base

>  <CAS> (269)
116649-85-5

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

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/04022413592D

 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
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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
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 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> (270)
270

>  <Formula> (270)
C12H9ClO2S

>  <MolWeight> (270)
252.71666

>  <Cat> (270)
S5438

>  <Name> (270)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (270)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (270)
HDAC

>  <Form> (270)
free base

>  <CAS> (270)
1623-93-4

>  <URL> (270)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5465 Morroniside.cdx
csChFnd80/04022413592D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    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
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  7  1  1  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  1  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  6  0  0  0
 21 24  1  0  0  0  0
 21 25  1  1  0  0  0
 22 26  1  1  0  0  0
 22 24  1  0  0  0  0
 24 27  1  6  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C17H26O11

>  <MolWeight> (271)
406.38174

>  <Cat> (271)
S5465

>  <Name> (271)
Morroniside

>  <Synonyms> (271)
N/A

>  <Target> (271)
Others

>  <Form> (271)
free base

>  <CAS> (271)
25406-64-8

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

$$$$
S5543 1, 10-Phenanthroline monohydrate.cdx
csChFnd80/04022413592D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.7963    2.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1922    2.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    1.4091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8928    1.4075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7970    5.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6927    1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1952    5.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2958    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2909    1.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9984    2.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224    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
  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 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C12H10N2O

>  <MolWeight> (272)
198.2206

>  <Cat> (272)
S5543

>  <Name> (272)
1, 10-Phenanthroline monohydrate

>  <Synonyms> (272)
Phenanthroline monohydrate

>  <Target> (272)
Others

>  <Form> (272)
hydrate 

>  <CAS> (272)
5144-89-8

>  <URL> (272)
http://selleckchem.com/products/1-10-phenanthroline-monohydrate.html

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/04022413592D

 13 13  0  0  0  0  0  0  0  0999 V2000
    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 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
    3.6373    5.6000    0.0000 O   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
    2.4249    2.1000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C7H4O6

>  <MolWeight> (273)
184.10306

>  <Cat> (273)
S5579

>  <Name> (273)
Chelidonic acid

>  <Synonyms> (273)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (273)
Immunology & Inflammation related

>  <Form> (273)
free base

>  <CAS> (273)
99-32-1

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

$$$$
S5584 Citronellol.cdx
csChFnd80/04022413592D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  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
    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   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
    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
    1.2124    0.0000    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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C10H20O

>  <MolWeight> (274)
156.2652

>  <Cat> (274)
S5584

>  <Name> (274)
Citronellol

>  <Synonyms> (274)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (274)
Others

>  <Form> (274)
free base

>  <CAS> (274)
106-22-9

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

$$$$
S5388 Betrixaban.cdx
csChFnd80/04022413592D

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.7073    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    2.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    4.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7091    4.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5282    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    6.3037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    7.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648    6.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    8.3978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    7.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    6.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    4.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    4.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    4.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    4.9023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    2.8032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9201    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1319    4.2080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3448    4.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5612    4.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7718    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7718    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5603    7.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3442    6.3018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9844    7.0046    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9201    6.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    6.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  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
  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  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
 26 29  1  0  0  0  0
 21 30  2  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C23H22ClN5O3

>  <MolWeight> (275)
451.90548

>  <Cat> (275)
S5388

>  <Name> (275)
Betrixaban

>  <Synonyms> (275)
PRT054021

>  <Target> (275)
factor Xa(fXa)

>  <Form> (275)
free base

>  <CAS> (275)
330942-05-7

>  <URL> (275)
http://selleckchem.com/products/.html

$$$$
S5389 Betrixaban maleate.cdx
csChFnd80/04022413592D

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.7129    2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5331    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2854    2.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2854    4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    4.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    4.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5331    0.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3199    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    6.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2841    7.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0683    6.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2841    8.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8524    7.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    4.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8529    4.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0698    4.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.9051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    2.8048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9264    4.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1389    4.2105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3525    4.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7809    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7809    6.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5687    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3519    6.3055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9942    7.0086    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9264    6.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    6.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5286    4.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5286    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7376    4.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7376    6.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9465    4.1051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7376    2.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7376    0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9465    2.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  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
  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  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
 26 29  1  0  0  0  0
 21 30  2  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C27H26ClN5O7

>  <MolWeight> (276)
567.97764

>  <Cat> (276)
S5389

>  <Name> (276)
Betrixaban maleate

>  <Synonyms> (276)
N/A

>  <Target> (276)
factor Xa?(fXa)

>  <Form> (276)
maleate

>  <CAS> (276)
936539-80-9

>  <URL> (276)
http://selleckchem.com/products/.html

$$$$
S5394 Tizoxanide.cdx
csChFnd80/04022413592D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (277)
277

>  <Formula> (277)
C10H7N3O4S

>  <MolWeight> (277)
265.24528

>  <Cat> (277)
S5394

>  <Name> (277)
 Tizoxanide

>  <Target> (277)
HCV Protease

>  <Form> (277)
free base

>  <CAS> (277)
173903-47-4

>  <URL> (277)
http://selleckchem.com/products/tizoxanide.html

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (278)
278

>  <Formula> (278)
C9H10O5

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198.1727

>  <Cat> (278)
S5550

>  <Name> (278)
Ethyl gallate

>  <Synonyms> (278)
N/A

>  <Target> (278)
NF-¦ÊB

>  <CAS> (278)
831-61-8

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

$$$$
Edoxaban.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (279)
279

>  <Formula> (279)
C31H40ClN7O8S2

>  <MolWeight> (279)
738.2744

>  <Cat> (279)
S7280

>  <Name> (279)
Edoxaban

>  <Synonyms> (279)
DU-176b

>  <Target> (279)
Factor Xa

>  <Form> (279)
Tosylate hydrate

>  <CAS> (279)
1229194-11-9

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

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C8H6N2O

>  <MolWeight> (280)
146.14604

>  <Cat> (280)
S9360

>  <Name> (280)
4-Hydroxyquinazoline

>  <Form> (280)
free base

>  <CAS> (280)
491-36-1

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C32H40O8

>  <MolWeight> (281)
552.6552

>  <Cat> (281)
S9410

>  <Name> (281)
Euphorbia factor L1

>  <CAS> (281)
76376-43-7

$$$$
S9421 Demethylnobiletin.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (282)
282

>  <Formula> (282)
C20H20O8

>  <MolWeight> (282)
388.368

>  <Cat> (282)
S9421

>  <Name> (282)
Demethylnobiletin

>  <Form> (282)
free base

>  <CAS> (282)
2174-59-6

$$$$

csChFnd80/04022413592D

 14 13  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (283)
283

>  <Formula> (283)
C8H16N2O4

>  <MolWeight> (283)
204.22364

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S5905

>  <Name> (283)
Suberohydroxamic acid

>  <Synonyms> (283)
suberic bishydroxamic acid

>  <Target> (283)
HDAC

>  <Form> (283)
Free Base

>  <CAS> (283)
38937-66-5

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

$$$$

csChFnd80/04022413592D

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>  <Mol_ID> (284)
284

>  <Formula> (284)
C16H11Cl2FO2

>  <MolWeight> (284)
325.1617432

>  <Cat> (284)
S7323

>  <Name> (284)
CHF 5074

>  <Synonyms> (284)
N/A

>  <Target> (284)
Gamma-secretase

>  <Form> (284)
Free Base

>  <CAS> (284)
749269-83-8

>  <URL> (284)
http://www.selleckchem.com/products/chf-5074.html

$$$$

csChFnd80/04022413592D

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>  <Mol_ID> (285)
285

>  <Formula> (285)
C16H15FN4O

>  <MolWeight> (285)
298.3149032

>  <Cat> (285)
S8592

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Pamiparib (BGB-290)

>  <Synonyms> (285)
N/A

>  <Target> (285)
PARP

>  <Form> (285)
Free Base

>  <CAS> (285)
1446261-44-4

>  <URL> (285)
http://www.selleckchem.com/products/bgb-290.html

$$$$
S9052 Auraptene.cdx
csChFnd80/04022413592D

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>  <Mol_ID> (286)
286

>  <Formula> (286)
C19H22O3

>  <MolWeight> (286)
298.37618

>  <Cat> (286)
S9052

>  <Name> (286)
Auraptene

>  <Form> (286)
free base

>  <CAS> (286)
495-02-3

$$$$
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csChFnd80/04022413592D

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free base

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102841-42-9

$$$$
S9089 Magnoflorine.cdx
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288

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342.40886

>  <Cat> (288)
S9089

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Magnoflorine

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free base

>  <CAS> (288)
88273

$$$$
S9095 Senegenin.cdx
csChFnd80/04022413592D

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537.1277

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S9095

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Senegenin

>  <Form> (289)
free base

>  <CAS> (289)
2469-34-3

$$$$
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csChFnd80/04022413592D

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514.7364

>  <Cat> (290)
S9097

>  <Name> (290)
Alisol B Acetate

>  <Form> (290)
free base

>  <CAS> (290)
26575-95-1

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/04022413592D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C16H12O7

>  <MolWeight> (291)
316.26228

>  <Cat> (291)
S9111

>  <Name> (291)
Isorhamnetin

>  <Form> (291)
free base

>  <CAS> (291)
480-19-3

$$$$
S9162 Rubimaillin.cdx
csChFnd80/04022413592D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C17H16O4

>  <MolWeight> (292)
284.30654

>  <Cat> (292)
S9162

>  <Name> (292)
Rubimaillin

>  <CAS> (292)
55481-88-4

$$$$
S9275 Isoguanosine.cdx
csChFnd80/04022413592D

 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
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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C10H13N5O5

>  <MolWeight> (293)
283.24072

>  <Cat> (293)
S9275

>  <Name> (293)
Isoguanosine

>  <Form> (293)
free base

>  <CAS> (293)
1818-71-9

$$$$
S9276 Alisol B.cdx
csChFnd80/04022413592D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    6.0725    3.3469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3050    4.0383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8584    7.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6861    6.7739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8550    4.0383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6526    3.3469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 28  6  1  0  0  0  0
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M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C30H48O4

>  <MolWeight> (294)
472.69972

>  <Cat> (294)
S9276

>  <Name> (294)
Alisol B

>  <Form> (294)
free base

>  <CAS> (294)
18649-93-9

$$$$
S9284 Aloesin.cdx
csChFnd80/04022413592D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C19H22O9

>  <MolWeight> (295)
394.37258

>  <Cat> (295)
S9284

>  <Name> (295)
Aloesin

>  <Form> (295)
free base

>  <CAS> (295)
30861-27-9

$$$$
S4997 4-Butylresorcinol.cdx
csChFnd80/04022413592D

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18979-61-8

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

$$$$
S9036 (20R)Ginsenoside Rh2.cdx
csChFnd80/04022413592D

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>  <Cat> (297)
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(20R)Ginsenoside Rh2

>  <Form> (297)
free base

>  <CAS> (297)
112246-15-8

$$$$
S9042 Wedelolactone.cdx
csChFnd80/04022413592D

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298

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>  <Cat> (298)
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free base

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524-12-9

$$$$
S9010 Bevirimat.cdx
csChFnd80/04022413592D

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$$$$
S9018 Luteoloside.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C49H55N9O7

>  <MolWeight> (303)
882.0171

>  <Cat> (303)
S5652

>  <Name> (303)
Elbasvir

>  <Synonyms> (303)
MK8742

>  <Target> (303)
HCV Protease

>  <Form> (303)
free base

>  <CAS> (303)
1370468-36-2

>  <URL> (303)
http://selleckchem.com/products/elbasvir.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (304)
304

>  <Formula> (304)
C20H21N3O2

>  <MolWeight> (304)
335.39964

>  <Cat> (304)
S8049

>  <Name> (304)
Tubastatin A

>  <Target> (304)
others

>  <CAS> (304)
1252003-15-8

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

$$$$

csChFnd80/04022413592D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C16H16N4O2S2

>  <MolWeight> (305)
360.45384

>  <Cat> (305)
S5696

>  <Name> (305)
JNJ0966

>  <Synonyms> (305)
N/A

>  <Target> (305)
Others

>  <Form> (305)
Free Base

>  <CAS> (305)
315705-75-0

>  <URL> (305)
http://www.selleckchem.com/products/jnj0966.html

$$$$

csChFnd80/04022413592D

 60 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C38H46F4N6O9S

>  <MolWeight> (306)
838.8652528

>  <Cat> (306)
S5720

>  <Name> (306)
Glecaprevir

>  <Synonyms> (306)
N/A

>  <Target> (306)
HCV Protease

>  <Form> (306)
Free Base

>  <CAS> (306)
1365970-03-1

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

$$$$

csChFnd80/04022413592D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C12H12N2

>  <MolWeight> (307)
184.23708

>  <Cat> (307)
S5752

>  <Name> (307)
Abametapir

>  <Synonyms> (307)
HA-44, BRN 0123183

>  <Target> (307)
Others

>  <Form> (307)
Free Base

>  <CAS> (307)
1762-34-1

>  <URL> (307)
http://www.selleckchem.com/products/abametapir.html

$$$$

csChFnd80/04022413592D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C6H11NOS2

>  <MolWeight> (308)
177.28764

>  <Cat> (308)
S5771

>  <Name> (308)
sulforaphane

>  <Synonyms> (308)
N/A

>  <Target> (308)
Nrf2

>  <Form> (308)
Free Base

>  <CAS> (308)
4478-93-7

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

$$$$

csChFnd80/04022413592D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C11H15BrN2O

>  <MolWeight> (309)
271.1536

>  <Cat> (309)
S5810

>  <Name> (309)
UF010

>  <Synonyms> (309)
N/A

>  <Target> (309)
HDAC

>  <Form> (309)
Free Base

>  <CAS> (309)
537672-41-6 

>  <URL> (309)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/04022413592D

 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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C15H16N2O2

>  <MolWeight> (310)
256.29974

>  <Cat> (310)
S8773

>  <Name> (310)
TH34

>  <Synonyms> (310)
N/A

>  <Target> (310)
HDAC

>  <Form> (310)
Free Base

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

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

$$$$

csChFnd80/04022413592D

 50 53  0  0  0  0  0  0  0  0999 V2000
   14.7338    4.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5629    2.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2700    1.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1113    7.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  2  0  0  0  0
 41 43  2  0  0  0  0
 42 44  1  0  0  0  0
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 46 50  2  0  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C36H49N5O8S

>  <MolWeight> (311)
711.86796

>  <Cat> (311)
S9567

>  <Name> (311)
Indinavir Sulfate

>  <Synonyms> (311)
Crixivan, L-735524, MK-639

>  <Target> (311)
HIV Protease

>  <Form> (311)
Sulfate

>  <CAS> (311)
157810-81-6

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

$$$$

csChFnd80/04022413592D

 12 12  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
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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
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C10H10O2

>  <MolWeight> (312)
162.1852

>  <Cat> (312)
S6221

>  <Name> (312)
Methyl cinnamate

>  <Synonyms> (312)
N/A

>  <Target> (312)
Others

>  <Form> (312)
free base

>  <CAS> (312)
103-26-4

>  <URL> (312)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/04022413592D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    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  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
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  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C5H6O5

>  <MolWeight> (313)
146.09814

>  <Cat> (313)
S6237

>  <Name> (313)
2-Ketoglutaric acid

>  <Synonyms> (313)
alpha-ketoglutarate, alpha-ketoglutaric acid, 2-oxoglutaric acid

>  <Target> (313)
Others

>  <Form> (313)
free base

>  <CAS> (313)
328-50-7

>  <URL> (313)
http://www.selleck.cn/products/2-ketoglutaric-acid.html

$$$$

csChFnd80/04022413592D

 37 41  0  0  0  0  0  0  0  0999 V2000
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314

>  <Formula> (314)
C25H26N8O2S2

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534.65634

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S8778

>  <Name> (314)
UPGL00004

>  <Synonyms> (314)
N/A

>  <Target> (314)
Glutaminase

>  <Form> (314)
free base

>  <CAS> (314)
1890169-95-5

>  <URL> (314)
http://www.selleck.cn/products/upgl00004.html

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>  <Mol_ID> (315)
315

>  <Formula> (315)
C21H19ClNO4+

>  <MolWeight> (315)
384.83286

>  <Cat> (315)
S1292

>  <Name> (315)
Chelerythrine Chloride

>  <Synonyms> (315)
N/A

>  <Target> (315)
PKC

>  <Form> (315)
Chloride

>  <CAS> (315)
3895-92-9

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

$$$$

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>  <Mol_ID> (316)
316

>  <Formula> (316)
C21H20N4O

>  <MolWeight> (316)
344.4097

>  <Cat> (316)
S6417

>  <Name> (316)
GK921

>  <Synonyms> (316)
N/A

>  <Target> (316)
Glutaminase

>  <Form> (316)
Free Base

>  <CAS> (316)
1025015-40-0

>  <URL> (316)
http://www.selleck.cn/products/gk921.html

$$$$

csChFnd80/04022413592D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (317)
317

>  <Formula> (317)
C17H18F2N2O

>  <MolWeight> (317)
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>  <Name> (317)
SR4370

>  <Synonyms> (317)
N/A

>  <Target> (317)
HDAC

>  <Form> (317)
Free Base

>  <CAS> (317)
1816294-67-3

>  <URL> (317)
http://www.selleck.cn/products/sr4370.html

$$$$

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N/A

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>  <Formula> (319)
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>  <Synonyms> (319)
N/A

>  <Target> (319)
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free base

>  <CAS> (319)
362003-83-6

>  <URL> (319)
http://www.selleck.cn/products/nvp-231.html

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N/A

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BACE

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free base

>  <CAS> (320)
333745-53-2

>  <URL> (320)
http://www.selleck.cn/products/lx2343.html

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>  <Target> (321)
HDAC

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>  <CAS> (321)
1815580-06-3

>  <URL> (321)
http://www.selleck.cn/products/sklb-23bb.html

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M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C25H34CaN3O9PS

>  <MolWeight> (322)
623.668921

>  <Cat> (322)
S6581

>  <Name> (322)
Fosamprenavir calcium salt

>  <Synonyms> (322)
N/A

>  <Target> (322)
HIV Protease

>  <Form> (322)
Calcium salt

>  <CAS> (322)
226700-81-8

>  <URL> (322)
http://www.selleck.cn/products/fosamprenavir-calcium-salt.html

$$$$

csChFnd80/04022413592D

 42 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C29H34Cl2N6O3S2

>  <MolWeight> (323)
649.65466

>  <Cat> (323)
S6624

>  <Name> (323)
Avatrombopag

>  <Synonyms> (323)
N/A

>  <Target> (323)
Thrombin

>  <Form> (323)
Free Base

>  <CAS> (323)
570406-98-3

>  <URL> (323)
http://www.selleck.cn/products/avatrombopag.html

$$$$

csChFnd80/04022413592D

 35 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (324)
324

>  <Formula> (324)
C24H23N7O4

>  <MolWeight> (324)
473.48392

>  <Cat> (324)
S6625

>  <Name> (324)
Temsavir (BMS-626529)

>  <Synonyms> (324)
N/A

>  <Target> (324)
HIV Protease

>  <Form> (324)
Free Base

>  <CAS> (324)
701213-36-7

>  <URL> (324)
http://www.selleck.cn/products/temsavir-bms-626529.html

$$$$

csChFnd80/04022413592D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C11H9N3S

>  <MolWeight> (325)
215.27426

>  <Cat> (325)
S6716

>  <Name> (325)
NSC 185058

>  <Synonyms> (325)
N/A

>  <Target> (325)
Autophagy

>  <Form> (325)
Free Base

>  <CAS> (325)
39122-38-8

>  <URL> (325)
http://www.selleck.cn/products/nsc-185058.html

$$$$

csChFnd80/04022413592D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 26 27  2  0  0  0  0
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M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C24H18F3N3O3S2

>  <MolWeight> (326)
517.5432296

>  <Cat> (326)
S6748

>  <Name> (326)
ML364

>  <Synonyms> (326)
N/A

>  <Target> (326)
DUB

>  <Form> (326)
Free Base

>  <CAS> (326)
1991986-30-1

>  <URL> (326)
http://www.selleck.cn/products/ml364.html

$$$$

csChFnd80/04022413592D

 20 19  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
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M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C10H23BN2O6S

>  <MolWeight> (327)
310.17542

>  <Cat> (327)
S8455

>  <Name> (327)
Talabostat (Val-boroPro, PT-100)

>  <Synonyms> (327)
BXCL701, L-valinyl-L-boroproline

>  <Target> (327)
DPP-4

>  <Form> (327)
Free Base

>  <CAS> (327)
150080-09-4

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

$$$$

csChFnd80/04022413592D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.1326    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9202    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C19H23N3O2

>  <MolWeight> (328)
325.40482

>  <Cat> (328)
S6548

>  <Name> (328)
NKL 22

>  <Synonyms> (328)
N/A

>  <Target> (328)
HDAC

>  <Form> (328)
Free Base

>  <CAS> (328)
537034-15-4

>  <URL> (328)
http://www.selleck.cn/products/nkl-22.html

$$$$

csChFnd80/04022413592D

 25 25  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C21H38N2OS

>  <MolWeight> (329)
366.60422

>  <Cat> (329)
S6687

>  <Name> (329)
SIS17

>  <Synonyms> (329)
N/A

>  <Target> (329)
HDAC

>  <Form> (329)
Free Base

>  <CAS> (329)
2374313-54-7

>  <URL> (329)
http://www.selleck.cn/products/sis17.html

$$$$

csChFnd80/04022413592D

 25 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (330)
330

>  <Formula> (330)
C17H16BrF4NO2

>  <MolWeight> (330)
422.2120528

>  <Cat> (330)
S8904

>  <Name> (330)
USP25/28 inhibitor AZ1

>  <Synonyms> (330)
N/A

>  <Target> (330)
DUB

>  <Form> (330)
Free Base

>  <CAS> (330)
2165322-94-9

>  <URL> (330)
http://www.selleck.cn/products/usp25-28-inhibitor-az1.html

$$$$

csChFnd80/04022413592D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   10.9119    4.2000    0.0000 N   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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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C15H14FN3O2

>  <MolWeight> (331)
287.2889632

>  <Cat> (331)
S8962

>  <Name> (331)
BRD3308

>  <Synonyms> (331)
N/A

>  <Target> (331)
HDAC

>  <Form> (331)
Free Base

>  <CAS> (331)
1550053-02-5

>  <URL> (331)
http://www.selleckchem.com/products/brd3308.html

$$$$

csChFnd80/04022413592D

 14 16  0  0  0  0  0  0  0  0999 V2000
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  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  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
  1 14  2  0  0  0  0
  2 11  2  0  0  0  0
M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C12H8N2

>  <MolWeight> (332)
180.20532

>  <Cat> (332)
S6830

>  <Name> (332)
o-Phenanthroline

>  <Synonyms> (332)
1,10-Phenanthroline, phen

>  <Target> (332)
MMP

>  <Form> (332)
Free Base

>  <CAS> (332)
66-71-7

>  <URL> (332)
http://www.selleckchem.com/products/o-phenanthroline.html

$$$$

csChFnd80/04022413592D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
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  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 24  2  0  0  0  0
 15 25  1  0  0  0  0
 16 20  1  0  0  0  0
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 20 22  2  0  0  0  0
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 22 28  1  0  0  0  0
 24 26  1  0  0  0  0
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 26 29  2  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C26H27N3O2

>  <MolWeight> (333)
413.51148

>  <Cat> (333)
S0118

>  <Name> (333)
SBC-1107326

>  <Synonyms> (333)
N/A

>  <Target> (333)
PCSK9

>  <Form> (333)
Free Base

>  <CAS> (333)
1629166-02-4

>  <URL> (333)
http://www.selleckchem.com/products/sbc-1107326.html

$$$$

csChFnd80/04022413592D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   18.1865    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 25  1  0  0  0  0
  5 16  2  0  0  0  0
  6 19  2  0  0  0  0
  7 12  1  0  0  0  0
  7 15  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 14 16  1  0  0  0  0
 17 20  2  0  0  0  0
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M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C16H17F2N3O3S

>  <MolWeight> (334)
369.3862864

>  <Cat> (334)
S0769

>  <Name> (334)
MMP-9-IN-1

>  <Synonyms> (334)
OUN87710

>  <Target> (334)
MMP

>  <Form> (334)
Free Base

>  <CAS> (334)
502887-71-0

>  <URL> (334)
http://www.selleckchem.com/products/mmp-9-in-1.html

$$$$

csChFnd80/04022413592D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  5  7  1  0  0  0  0
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  2  9  1  0  0  0  0
  8 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
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 14  8  1  0  0  0  0
 13 15  2  0  0  0  0
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 14 22  2  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C21H22ClNO

>  <MolWeight> (335)
339.85848

>  <Cat> (335)
S4922

>  <Name> (335)
NSC632839

>  <Synonyms> (335)
N/A

>  <Target> (335)
DUB

>  <Form> (335)
Free Base

>  <CAS> (335)
157654-67-6

>  <URL> (335)
http://www.selleckchem.com/products/nsc-632839.html

$$$$

csChFnd80/04022413592D

 32 32  0  0  0  0  0  0  0  0999 V2000
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 12  8  1  1  0  0  0
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 11 14  1  0  0  0  0
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>  <Mol_ID> (336)
336

>  <Formula> (336)
C22H29N3O7

>  <MolWeight> (336)
447.48156

>  <Cat> (336)
S8892

>  <Name> (336)
JHU395

>  <Synonyms> (336)
N/A

>  <Target> (336)
Others

>  <Form> (336)
Free Base

>  <CAS> (336)
2079938-92-2

>  <URL> (336)
http://www.selleckchem.com/products/jhu395.html

$$$$

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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C16H10ClF3N2O

>  <MolWeight> (337)
338.7116096

>  <Cat> (337)
S0076

>  <Name> (337)
ABX464

>  <Target> (337)
Anti-infection

>  <Form> (337)
free base

>  <CAS> (337)
1258453-75-6

>  <URL> (337)
http://www.selleckchem.com/products/abx464.html

$$$$

csChFnd80/04022413592D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  4  6  1  0  0  0  0
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C17H9NO3

>  <MolWeight> (338)
275.25826

>  <Cat> (338)
S0399

>  <Name> (338)
SJB2-043

>  <Target> (338)
DUB

>  <Form> (338)
free base

>  <CAS> (338)
63388-44-3

>  <URL> (338)
http://www.selleckchem.com/products/sjb2-043.html

$$$$

csChFnd80/04022413592D

 34 34  0  0  0  0  0  0  0  0999 V2000
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   14.9583    5.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (339)
339

>  <Formula> (339)
C21H30N3NaO8S

>  <MolWeight> (339)
507.53297

>  <Cat> (339)
S0475

>  <Name> (339)
GC376

>  <Target> (339)
3C-Like Protease

>  <Form> (339)
free base

>  <CAS> (339)
1416992-39-6

>  <URL> (339)
http://www.selleckchem.com/products/gc376-sodium.html

$$$$

csChFnd80/04022413592D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (340)
340

>  <Formula> (340)
C22H22F3N3O4

>  <MolWeight> (340)
449.4229896

>  <Cat> (340)
S0709

>  <Name> (340)
Tubastatin A TFA

>  <Target> (340)
HDAC

>  <Form> (340)
trifluoroacetate

>  <CAS> (340)
1239262-52-2

>  <URL> (340)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

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 28 30  0  0  0  0  0  0  0  0999 V2000
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    1.4049    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    3.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4471    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6595    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8719    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2968    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5092    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9341    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1465    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5714    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7838    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2087    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    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  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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10  1  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C23H40N2O3

>  <MolWeight> (341)
392.5753

>  <Cat> (341)
S0752

>  <Name> (341)
AUDA

>  <Target> (341)
Epoxide Hydrolase

>  <Form> (341)
free base

>  <CAS> (341)
479413-70-2

>  <URL> (341)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/04022413592D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5879    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
  3  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
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C7H7NO2

>  <MolWeight> (342)
137.13598

>  <Cat> (342)
S3220

>  <Name> (342)
Trigonelline

>  <Target> (342)
Phospholipase (e.g. 

>  <Form> (342)
free base

>  <CAS> (342)
535-83-1

>  <URL> (342)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/04022413592D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2310    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9874    6.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    5.1422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4759    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5563    3.7817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    7.2422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5078    4.9083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9405    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7996    7.9908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.3125    6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9405    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6175    5.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  1  1  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
 26  3  1  1  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C26H34O6

>  <MolWeight> (343)
442.54456

>  <Cat> (343)
S3224

>  <Name> (343)
Cinobufagin

>  <Target> (343)
ATM/ATR

>  <Form> (343)
free base

>  <CAS> (343)
470-37-1

>  <URL> (343)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/04022413592D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C24H32O4

>  <MolWeight> (344)
384.50848

>  <Cat> (344)
S3238

>  <Name> (344)
Resibufogenin

>  <Target> (344)
RIP kinase

>  <Form> (344)
free base

>  <CAS> (344)
465-39-4

>  <URL> (344)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/04022413592D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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  1  1  0  0  0  0
  7 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  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 26  1  1  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C20H23NO4

>  <MolWeight> (345)
341.40092

>  <Cat> (345)
S3249

>  <Name> (345)
Corypalmine

>  <Target> (345)
PREP

>  <Form> (345)
free base

>  <CAS> (345)
27313-86-6, 13063-54-2

>  <URL> (345)
http://www.selleckchem.com/products/corypalmine.html

$$$$

csChFnd80/04022413592D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C27H30O15

>  <MolWeight> (346)
594.5181

>  <Cat> (346)
S3267

>  <Name> (346)
Kaempferol-3-O-rutinoside

>  <Target> (346)
Apoptosis related

>  <Form> (346)
free base

>  <CAS> (346)
17650-84-9

>  <URL> (346)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/04022413592D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C23H23NO6

>  <MolWeight> (347)
409.43182

>  <Cat> (347)
S3269

>  <Name> (347)
Acetylcorynoline

>  <Target> (347)
Anti-infection

>  <Form> (347)
free base

>  <CAS> (347)
18797-80-3

>  <URL> (347)
http://www.selleckchem.com/products/acetylcorynoline.html

$$$$

csChFnd80/04022413592D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C12H16O4

>  <MolWeight> (348)
224.25304

>  <Cat> (348)
S3275

>  <Name> (348)
Senkyunolide I

>  <Target> (348)
ERK

>  <Form> (348)
free base

>  <CAS> (348)
94596-28-8

>  <URL> (348)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/04022413592D

 49 54  0  0  0  0  0  0  0  0999 V2000
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  4 43  1  6  0  0  0
 15 44  1  6  0  0  0
 19 45  1  6  0  0  0
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 27 47  1  6  0  0  0
 31 48  1  6  0  0  0
 16 49  1  6  0  0  0
M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C36H58O10

>  <MolWeight> (349)
650.83972

>  <Cat> (349)
S3287

>  <Name> (349)
Rosamultin

>  <Target> (349)
HIV Protease

>  <Form> (349)
free base

>  <CAS> (349)
88515-58-6

>  <URL> (349)
http://www.selleckchem.com/products/rosamultin.html

$$$$

csChFnd80/04022413592D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
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M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C20H20N2O

>  <MolWeight> (350)
304.3856

>  <Cat> (350)
S6845

>  <Name> (350)
GRL0617

>  <Target> (350)
DUB

>  <Form> (350)
free base

>  <CAS> (350)
1093070-16-6

>  <URL> (350)
http://www.selleckchem.com/products/grl0617.html

$$$$

csChFnd80/04022413592D

 37 39  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 17 12  1  0  0  0  0
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 18 21  1  0  0  0  0
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 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 21  1  0  0  0  0
 22 28  2  0  0  0  0
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 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
 32 22  1  0  0  0  0
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 30 35  1  0  0  0  0
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M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C28H23Cl5N2O2

>  <MolWeight> (351)
596.75942

>  <Cat> (351)
S6851

>  <Name> (351)
RA-190

>  <Target> (351)
Proteasome

>  <Form> (351)
free base

>  <CAS> (351)
1617495-03-0

>  <URL> (351)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/04022413592D

 29 30  0  0  0  0  0  0  0  0999 V2000
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   13.3462    6.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1282    4.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5  9  1  0  0  0  0
 10  5  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 13 14  1  0  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C22H26N2O4

>  <MolWeight> (352)
382.45284

>  <Cat> (352)
S7394

>  <Name> (352)
MDL-28170

>  <Target> (352)
Cysteine Protease

>  <Form> (352)
free base

>  <CAS> (352)
88191-84-8

>  <URL> (352)
http://www.selleckchem.com/products/mdl-28170.html

$$$$

csChFnd80/04022413592D

 12 11  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
  2  4  1  0  0  0  0
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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C6H9N3O3

>  <MolWeight> (353)
171.15396

>  <Cat> (353)
S8620

>  <Name> (353)
6-Diazo-5-oxo-L-norleucine

>  <Target> (353)
Glutaminase

>  <Form> (353)
free base

>  <CAS> (353)
157-03-9

>  <URL> (353)
http://www.selleckchem.com/products/6-diazo-5-oxo-l-norleucine.html

$$$$

csChFnd80/04022413592D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C18H18F2N2O4

>  <MolWeight> (354)
364.3433264

>  <Cat> (354)
S8824

>  <Name> (354)
EMD638683

>  <Target> (354)
Serine/threonin kina

>  <Form> (354)
free base

>  <CAS> (354)
1181770-72-8

>  <URL> (354)
http://www.selleckchem.com/products/emd638683.html

$$$$

csChFnd80/04022413592D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C15H12O3

>  <MolWeight> (355)
240.25398

>  <Cat> (355)
S9634

>  <Name> (355)
Phenoxodiol (Haginin E)

>  <Target> (355)
Caspase

>  <Form> (355)
free base

>  <CAS> (355)
81267-65-4

>  <URL> (355)
http://www.selleckchem.com/products/phenoxodiol.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C57H65F5N10O8

>  <MolWeight> (356)
1113.180216

>  <Cat> (356)
S9641

>  <Name> (356)
Pibrentasvir (ABT-530)

>  <Target> (356)
HCV Protease

>  <Form> (356)
free base

>  <CAS> (356)
1353900-92-1

>  <URL> (356)
http://www.selleckchem.com/products/pibrentasvir-abt-530-.html

$$$$

csChFnd80/04022413592D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C22H22N2O2

>  <MolWeight> (357)
346.42228

>  <Cat> (357)
S0515

>  <Name> (357)
PLpro inhibitor

>  <Synonyms> (357)
N/A

>  <Target> (357)
DUB. Anti-infection

>  <Form> (357)
Free Base

>  <CAS> (357)
1093070-14-4

>  <URL> (357)
https://www.selleckchem.com/products/plpro-inhibitor.html

$$$$

csChFnd80/04022413592D

 69 76  0  0  0  0  0  0  0  0999 V2000
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    2.5701    4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805    3.4989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7823    2.0965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9908    1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2054    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9871    4.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    3.4979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.9886    5.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4187    5.5873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4008    4.1936    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5924    3.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8218    5.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0338    6.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0624    7.6178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8686    8.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    7.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2671    8.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4781    7.6281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4731    6.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6773    5.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8942    6.2182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8993    7.6193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.9145   11.7995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   19.5462    9.7021    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   17.1044    5.5174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8093    6.9623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9631    6.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5480   13.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6962   12.5007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5338   11.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5480   12.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3298   10.4042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9631    9.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5267    5.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4710    9.0304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6194    4.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3869    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680    4.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9915    4.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3803    6.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3888    4.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9859    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570    0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1117   15.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3227   16.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  5  9  1  0  0  0  0
 13 17  1  0  0  0  0
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 15 16  1  0  0  0  0
 31 36  1  0  0  0  0
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 34 35  1  0  0  0  0
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 32 37  1  1  0  0  0
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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  3  6  1  0  0  0  0
 38 43  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
  5  4  1  0  0  0  0
 28 44  1  1  0  0  0
 17 22  1  0  0  0  0
 27 45  1  1  0  0  0
 18 19  1  0  0  0  0
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 13 47  1  1  0  0  0
 20 21  1  0  0  0  0
 10 48  1  1  0  0  0
 21 22  1  0  0  0  0
 41 49  1  1  0  0  0
  5  6  1  0  0  0  0
 34 50  1  1  0  0  0
 20 23  1  6  0  0  0
 31 51  1  1  0  0  0
 43 52  1  6  0  0  0
 23 24  1  0  0  0  0
 33 53  1  6  0  0  0
 24 25  1  0  0  0  0
 38 54  1  6  0  0  0
  9 12  2  0  0  0  0
 42 55  1  6  0  0  0
 10 14  1  0  0  0  0
 40 56  1  6  0  0  0
 13 11  1  0  0  0  0
 24 57  1  6  0  0  0
 11 12  1  0  0  0  0
 17 58  1  6  0  0  0
 13 14  1  0  0  0  0
 14 59  1  6  0  0  0
 24 29  1  0  0  0  0
  5 60  1  6  0  0  0
 25 26  1  0  0  0  0
  6 61  1  6  0  0  0
 26 27  1  0  0  0  0
  1 62  1  0  0  0  0
 27 28  1  0  0  0  0
  1 63  1  0  0  0  0
 28 29  1  0  0  0  0
 19 64  1  0  0  0  0
  1  2  1  0  0  0  0
 19 65  1  0  0  0  0
 29 30  1  6  0  0  0
 61 66  1  0  0  0  0
  1  4  1  0  0  0  0
 61 67  2  0  0  0  0
 30 31  1  0  0  0  0
 35 68  1  6  0  0  0
 31 32  1  0  0  0  0
 68 69  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C47H76O16

>  <MolWeight> (358)
897.09674

>  <Cat> (358)
S9262

>  <Name> (358)
Raddeanin A

>  <Synonyms> (358)
Raddeanin R3, NSC382873

>  <Target> (358)
HDAC

>  <Form> (358)
Free Base

>  <CAS> (358)
89412-79-3

>  <URL> (358)
https://www.selleckchem.com/products/raddeanin-a.html

$$$$

csChFnd80/04022413592D

 38 42  0  0  0  0  0  0  0  0999 V2000
   10.2098    9.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2200    9.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7150    8.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4988    7.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5059    6.4201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7291    5.7201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9453    6.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    7.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    3.6273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6697    2.2273    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8715    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0806    2.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3130    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
 23  5  1  0  0  0  0
  5  6  1  0  0  0  0
 26  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  1  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 18  9  1  0  0  0  0
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 15 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 13  1  6  0  0  0
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  5 38  1  6  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C30H48O6

>  <MolWeight> (359)
504.69852

>  <Cat> (359)
S9386

>  <Name> (359)
Polygalacic acid

>  <Synonyms> (359)
N/A

>  <Target> (359)
others

>  <Form> (359)
Free Base

>  <CAS> (359)
22338-71-2

>  <URL> (359)
https://www.selleckchem.com/products/polygalacic-acid.html

$$$$

csChFnd80/04022413592D

 78 87  0  0  0  0  0  0  0  0999 V2000
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   12.1216    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6968    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6968    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9091    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9091    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3244    6.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8471    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C50H83NO21

>  <MolWeight> (360)
1034.18812

>  <Cat> (360)
S9444

>  <Name> (360)
Tomatine

>  <Synonyms> (360)
lycopersicin

>  <Target> (360)
Anti-infection

>  <Form> (360)
Free Base

>  <CAS> (360)
17406-45-0

>  <URL> (360)
https://www.selleckchem.com/products/tomatine.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C24H21N3O6S

>  <MolWeight> (361)
479.50504

>  <Cat> (361)
S0341

>  <Name> (361)
T-26c

>  <Synonyms> (361)
N/A

>  <Target> (361)
MMP

>  <Form> (361)
Free Base

>  <CAS> (361)
869296-13-9

>  <URL> (361)
https://www.selleckchem.com/products/t-26c.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C16H11N3O3

>  <MolWeight> (362)
293.27684

>  <Cat> (362)
S0354

>  <Name> (362)
Alsterpaullone

>  <Synonyms> (362)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (362)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (362)
Free Base

>  <CAS> (362)
237430-03-4

>  <URL> (362)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/04022413592D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 17 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
 17 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 23 26  2  0  0  0  0
 18 24  2  0  0  0  0
 19 25  2  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 25 29  1  0  0  0  0
 14 21  1  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C22H26N4O3

>  <MolWeight> (363)
394.46684

>  <Cat> (363)
S0359

>  <Name> (363)
T863 (DGAT-3)

>  <Synonyms> (363)
N/A

>  <Target> (363)
Acyltransferase. Transferase.

>  <Form> (363)
Free Base

>  <CAS> (363)
701232-20-4

>  <URL> (363)
https://www.selleckchem.com/products/dgat-3.html

$$$$

csChFnd80/04022413592D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  3  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
    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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
   12.1244    3.5000    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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
   14.5492    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
   13.3368    1.4000    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
   14.5492    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
  1 13  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C19H15N3O5

>  <MolWeight> (364)
365.3395

>  <Cat> (364)
S0884

>  <Name> (364)
RA-9

>  <Synonyms> (364)
N/A

>  <Target> (364)
DUB. Apoptosis

>  <Form> (364)
Free Base

>  <CAS> (364)
919091-63-7

>  <URL> (364)
https://www.selleckchem.com/products/ra-9.html

$$$$

csChFnd80/04022413592D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    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
    2.4249    4.2000    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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C18H16O5

>  <MolWeight> (365)
312.31664

>  <Cat> (365)
S0913

>  <Name> (365)
4',5,7-Trimethoxyflavone

>  <Synonyms> (365)
5,?7,?4'-Trimethoxyflavone, TMF

>  <Target> (365)
apoptosis related. Caspase. PARP.

>  <Form> (365)
Free Base

>  <CAS> (365)
5631-70-9

>  <URL> (365)
https://www.selleckchem.com/products/4-5-7-trimethoxyflavone.html

$$$$

csChFnd80/04022413592D

 29 31  0  0  0  0  0  0  0  0999 V2000
   13.3371    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5495    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4697    8.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2045    8.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0371    9.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6371    9.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  2  0  0  0  0
  3 29  2  0  0  0  0
  4  7  1  0  0  0  0
 11  5  1  6  0  0  0
  5 21  1  0  0  0  0
  6 24  1  0  0  0  0
  6 26  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  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
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C22H33N3O4

>  <MolWeight> (366)
403.51512

>  <Cat> (366)
S1313

>  <Name> (366)
GSK3117391

>  <Synonyms> (366)
GSK3117391A, HDAC-IN-3

>  <Target> (366)
HDAC

>  <Form> (366)
Free Base

>  <CAS> (366)
1018673-42-1

>  <URL> (366)
https://www.selleckchem.com/products/gsk3117391.html

$$$$

csChFnd80/04022413592D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.7093    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687    6.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265    6.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847    3.3394    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2417    1.9923    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6716    3.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9659    1.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746    4.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541    1.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6773    1.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7787    5.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0994    2.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    8.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105    1.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8843    1.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C13H20O3

>  <MolWeight> (367)
224.2961

>  <Cat> (367)
S3088

>  <Name> (367)
(¡À)-Methyl Jasmonate

>  <Synonyms> (367)
MeJA, Methyl jasmonate, Methyl 2-(3-oxo-2-(pent-2-en-1-yl)cyclopentyl)

>  <Target> (367)
Caspase

>  <Form> (367)
Free Base

>  <CAS> (367)
39924-52-2

>  <URL> (367)
https://www.selleckchem.com/products/methyl-jasmonate.html

$$$$

csChFnd80/04022413592D

 38 36  0  0  0  0  0  0  0  0999 V2000
    1.6170    0.7420    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.3669    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.0623    9.5445    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.7443    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.7443    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2445    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.2445    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    2.0319    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623   10.7569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    7.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    7.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7251    2.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    3.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    8.3319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    5.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    5.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    3.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8747    3.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7496    2.0322    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3621    1.3319    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4496    0.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4445    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    6.7443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    6.7443    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    5.3443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    5.3443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.6443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 25  2  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 26  2  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 27  2  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 28  2  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 29  2  0  0  0  0
  8 14  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  2  0  0  0  0
 33  9  1  1  0  0  0
 34 10  1  1  0  0  0
 35 11  1  1  0  0  0
 36 12  1  1  0  0  0
 37 13  1  6  0  0  0
 38 14  1  1  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C6H16K2O24P6

>  <MolWeight> (368)
736.216006

>  <Cat> (368)
S3326

>  <Name> (368)
Phytic acid dipotassium salt

>  <Synonyms> (368)
Phytic acid potassium, IP6 (PS)

>  <Target> (368)
BACE

>  <Form> (368)
Dipotassium s

>  <CAS> (368)
129832-03-7

>  <URL> (368)
https://www.selleckchem.com/products/phytic-acid-dipotassium-salt.html

$$$$

csChFnd80/04022413592D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.9652    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2189    2.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1887    2.8496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072    0.7244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5919    2.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3626    2.1718    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0099    2.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3626    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4313    2.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2189    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    2.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6421    2.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4308    0.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072    2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714    4.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868    5.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    4.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  4 17  2  0  0  0  0
  4 19  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
  7  9  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C18H26ClN3

>  <MolWeight> (369)
319.87214

>  <Cat> (369)
S6999

>  <Name> (369)
Chloroquine

>  <Synonyms> (369)
Aralen, CHQ, CQ

>  <Target> (369)
Autophagy

>  <Form> (369)
Free Base

>  <CAS> (369)
54-05-7

>  <URL> (369)
http://www.selleckchem.com/products/chloroquine.html

$$$$

csChFnd80/04022413592D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    4.9621    1.2984    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3793    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792    1.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3793    7.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792    8.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2793    6.0624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4793    1.2126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    3.5516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9793    9.6997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9793   12.1247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2793    3.6374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9793    4.8500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3793    2.4250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.0793    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2793    8.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2793   10.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   10.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1792   12.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2793   13.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   13.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  0  0  0  0
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5 22  2  0  0  0  0
  6 31  2  0  0  0  0
 14  7  1  1  0  0  0
  7 21  1  0  0  0  0
 15  8  1  1  0  0  0
  8 22  1  0  0  0  0
  9 20  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 32  1  0  0  0  0
 11 23  2  0  0  0  0
 11 26  1  0  0  0  0
 12 31  1  0  0  0  0
 12 33  1  0  0  0  0
 13 33  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  6  0  0  0
 18 19  1  0  0  0  0
 21 23  1  0  0  0  0
 22 31  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 37  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C24H30ClN7O4S

>  <MolWeight> (370)
548.0575

>  <Cat> (370)
S4429

>  <Name> (370)
Edoxaban

>  <Synonyms> (370)
DU-176b, Savaysa

>  <Target> (370)
Factor Xa

>  <Form> (370)
Free Base

>  <CAS> (370)
480449-70-5

>  <URL> (370)
http://www.selleckchem.com/products/edoxaban.html

$$$$

csChFnd80/04022413592D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.9320    1.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6530    0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5204    1.7640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1890    1.3314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3661    2.4640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9661    2.4640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    3.5967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5204    3.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    7.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.7607    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
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  6  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
 13 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
 12 18  1  0  0  0  0
  9 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C12H18N6O3

>  <MolWeight> (371)
294.30972

>  <Cat> (371)
S9631

>  <Name> (371)
Puromycin aminonucleoside

>  <Synonyms> (371)
NSC 3056, PAN, Stylomycin aminonucleoside, ARDMA, SAN

>  <Target> (371)
DPP-2

>  <Form> (371)
Free Base

>  <CAS> (371)
58-60-6

>  <URL> (371)
http://www.selleckchem.com/products/puromycin-aminonucleoside.html

$$$$

csChFnd80/04022413592D

 43 43  0  0  0  0  0  0  0  0999 V2000
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    8.3544    9.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   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
   12.1244    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C23H38N10O10

>  <MolWeight> (372)
614.60882

>  <Cat> (372)
S4513

>  <Name> (372)
RGD peptide (GRGDNP)

>  <Synonyms> (372)
N/A

>  <Target> (372)
Integrin

>  <Form> (372)
Free Base

>  <CAS> (372)
114681-65-1

>  <URL> (372)
http://www.selleckchem.com/products/rgd-peptide-grgdnp-.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C57H104O6

>  <MolWeight> (373)
885.43206

>  <Cat> (373)
S3590

>  <Name> (373)
Triolein

>  <Synonyms> (373)
N/A

>  <Target> (373)
MMP

>  <Form> (373)
Free Base

>  <CAS> (373)
122-32-7

>  <URL> (373)
http://www.selleckchem.com/products/triolein.html

$$$$

csChFnd80/04022413592D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C20H23BCl2N2O9

>  <MolWeight> (374)
517.12162

>  <Cat> (374)
S4432

>  <Name> (374)
Ixazomib Citrate (MLN9708)

>  <Synonyms> (374)
Ninlaro

>  <Target> (374)
Proteasome

>  <Form> (374)
Free Base

>  <CAS> (374)
1239908-20-3

>  <URL> (374)
http://www.selleckchem.com/products/ixazomib-citrate.html

$$$$

csChFnd80/04022413592D

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 18 20  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 25 26  2  0  0  0  0
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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C29H42N2O3S

>  <MolWeight> (375)
498.72038

>  <Cat> (375)
S0820

>  <Name> (375)
RP-64477

>  <Synonyms> (375)
N/A

>  <Target> (375)
Acyltransferase

>  <Form> (375)
Free Base

>  <CAS> (375)
135239-65-5

>  <URL> (375)
http://www.selleckchem.com/products/rp-64477.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C48H56CaN2O10

>  <MolWeight> (376)
861.04364

>  <Cat> (376)
S4426

>  <Name> (376)
Sacubitril hemicalcium salt

>  <Synonyms> (376)
AHU-377 hemicalcium salt

>  <Target> (376)
Neprilysin

>  <Form> (376)
Hemicalcium salt

>  <CAS> (376)
1369773-39-6

>  <URL> (376)
http://www.selleckchem.com/products/sacubitril-hemicalcium-salt.html

$$$$

csChFnd80/04022413592D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 14 15  2  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C17H19FN4O2

>  <MolWeight> (377)
330.3567632

>  <Cat> (377)
S0864

>  <Name> (377)
ACY-775

>  <Synonyms> (377)
N/A

>  <Target> (377)
HDAC

>  <Form> (377)
Free Base

>  <CAS> (377)
1375466-18-4

>  <URL> (377)
http://www.selleckchem.com/products/acy-775.html

$$$$

csChFnd80/04022413592D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4 25  1  0  0  0  0
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  7  6  1  1  0  0  0
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 14 17  1  0  0  0  0
 15 19  1  0  0  0  0
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 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C22H25NO5

>  <MolWeight> (378)
383.4376

>  <Cat> (378)
S3388

>  <Name> (378)
Sacubitrilat

>  <Synonyms> (378)
Sac, LBQ-657

>  <Target> (378)
Neprilysin

>  <Form> (378)
Free Base

>  <CAS> (378)
149709-44-4

>  <URL> (378)
http://www.selleckchem.com/products/sacubitrilat.html

$$$$

csChFnd80/04022413592D

 30 34  0  0  0  0  0  0  0  0999 V2000
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   12.2711    3.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4833    4.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6957    5.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    5.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2744    6.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 10 15  1  0  0  0  0
  1  7  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C25H27N5

>  <MolWeight> (379)
397.51538

>  <Cat> (379)
S9678

>  <Name> (379)
AT-56

>  <Synonyms> (379)
N/A

>  <Target> (379)
PGDS

>  <Form> (379)
Free Base

>  <CAS> (379)
162640-98-4

>  <URL> (379)
http://www.selleckchem.com/products/at-56.html

$$$$

csChFnd80/04022413592D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C10H12O2

>  <MolWeight> (380)
164.20108

>  <Cat> (380)
S3592

>  <Name> (380)
4-Phenylbutyric acid (4-PBA)

>  <Synonyms> (380)
Benzenebutyric acid

>  <Target> (380)
HDAC

>  <Form> (380)
Free Base

>  <CAS> (380)
1821-12-1

>  <URL> (380)
http://www.selleckchem.com/products/4-phenylbutyric-acid-4-pba-.html

$$$$

csChFnd80/04022413592D

 28 28  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C17H19N3O7S

>  <MolWeight> (381)
409.41366

>  <Cat> (381)
S3511

>  <Name> (381)
FOY251

>  <Synonyms> (381)
N/A

>  <Target> (381)
Serine Protease

>  <Form> (381)
Free Base

>  <CAS> (381)
71079-09-9

>  <URL> (381)
http://www.selleckchem.com/products/foy251.html

$$$$

csChFnd80/04022413592D

 51 53  0  0  0  0  0  0  0  0999 V2000
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 28 32  1  0  0  0  0
 30 36  1  0  0  0  0
 31 34  1  0  0  0  0
 33 37  2  0  0  0  0
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 35 40  2  0  0  0  0
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M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C35H45N7O8S

>  <MolWeight> (382)
723.8389

>  <Cat> (382)
S5960

>  <Name> (382)
Dabigatran etexilate mesylate

>  <Synonyms> (382)
Pradaxa, BIBR 1048MS, Dabigatran etexilate methanesulfonate

>  <Target> (382)
Thrombin

>  <Form> (382)
Mesylate

>  <CAS> (382)
872728-81-9

>  <URL> (382)
http://www.selleckchem.com/products/dabigatran-etexilate-mesylate.html

$$$$

csChFnd80/04022413592D

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    1.2124    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7613    4.1999    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
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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  1 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
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 27 28  1  0  0  0  0
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 20 21  1  0  0  0  0
 17 18  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C25H28ClN3O

>  <MolWeight> (383)
421.96232

>  <Cat> (383)
S6883

>  <Name> (383)
HBX 19818

>  <Synonyms> (383)
N/A

>  <Target> (383)
DUB

>  <Form> (383)
Free Base

>  <CAS> (383)
1426944-49-1

>  <URL> (383)
http://www.selleckchem.com/products/hbx-19818.html

$$$$

csChFnd80/04022413592D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
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  1  7  1  0  0  0  0
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  2 10  1  0  0  0  0
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  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
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 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
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 12 15  2  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
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 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C17H20N2O5S

>  <MolWeight> (384)
364.4161

>  <Cat> (384)
S9909

>  <Name> (384)
ARP 100

>  <Synonyms> (384)
MMP-2 Inhibitor III, Compound 10a

>  <Target> (384)
MMP

>  <Form> (384)
Free Base

>  <CAS> (384)
704888-90-4

>  <URL> (384)
http://www.selleckchem.com/products/arp-100.html

$$$$

csChFnd80/04022413592D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   10.6728    4.1108    0.0000 N   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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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
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  1 11  1  0  0  0  0
  1 23  2  0  0  0  0
M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C19H23ClN2O

>  <MolWeight> (385)
330.85172

>  <Cat> (385)
S6943

>  <Name> (385)
IU1-47

>  <Synonyms> (385)
N/A

>  <Target> (385)
DUB

>  <Form> (385)
Free Base

>  <CAS> (385)
670270-31-2

>  <URL> (385)
http://www.selleckchem.com/products/iu1-47.html

$$$$

csChFnd80/04022413592D

 49 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C38H50N6O5

>  <MolWeight> (386)
670.8408

>  <Cat> (386)
S9625

>  <Name> (386)
Saquinavir (Ro 31-8959)

>  <Synonyms> (386)
N/A

>  <Target> (386)
HIV Protease

>  <Form> (386)
Free Base

>  <CAS> (386)
127779-20-8

>  <URL> (386)
http://www.selleckchem.com/products/saquinavir.html

$$$$

csChFnd80/04022413592D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (387)
387

>  <Formula> (387)
C20H11F6N5O2

>  <MolWeight> (387)
467.3240592

>  <Cat> (387)
S9896

>  <Name> (387)
JNJ-67856633

>  <Synonyms> (387)
JNJ-6633

>  <Target> (387)
MALT

>  <Form> (387)
Free Base

>  <CAS> (387)
2230273-76-2

>  <URL> (387)
http://www.selleckchem.com/products/jnj-67856633.html

$$$$

csChFnd80/04022413592D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8 12  1  0  0  0  0
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 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C17H22N2O3

>  <MolWeight> (388)
302.36818

>  <Cat> (388)
E0073

>  <Name> (388)
CL-82198

>  <Synonyms> (388)
N/A

>  <Target> (388)
MMP

>  <Form> (388)
Free Base

>  <CAS> (388)
307002-71-7

>  <URL> (388)
http://www.selleckchem.com/products/cl-82198.html

$$$$

csChFnd80/04022413592D

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   13.9562    2.0026    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 32  7  1  0  0  0  0
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 24  9  1  0  0  0  0
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 31 14  1  0  0  0  0
 12 18  1  0  0  0  0
 17  7  1  0  0  0  0
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  8 26  1  0  0  0  0
 11 16  2  0  0  0  0
 31  4  1  0  0  0  0
 19  8  1  0  0  0  0
  3 21  1  0  0  0  0
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 16 13  1  0  0  0  0
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>  <Mol_ID> (389)
389

>  <Formula> (389)
C18H19F8N5O2

>  <MolWeight> (389)
489.3629856

>  <Cat> (389)
E0122

>  <Name> (389)
Gemigliptin

>  <Synonyms> (389)
Zemiglo, LC15-0444

>  <Target> (389)
DPP-4

>  <Form> (389)
Free Base

>  <CAS> (389)
911637-19-9

>  <URL> (389)
http://www.selleckchem.com/products/gemigliptin.html

$$$$

csChFnd80/04022413592D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (390)
390

>  <Formula> (390)
C19H12N2O8

>  <MolWeight> (390)
396.30718

>  <Cat> (390)
E0079

>  <Name> (390)
Compound W

>  <Synonyms> (390)
3,5-Bis(4-nitrophenoxy)benzoic acid

>  <Target> (390)
Others

>  <Form> (390)
free base

>  <CAS> (390)
173550-33-9

>  <URL> (390)
http://www.selleckchem.com/products/compound-w.html

$$$$

csChFnd80/04022413592D

 71 78  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (391)
391

>  <Formula> (391)
C50H57NO17

>  <MolWeight> (391)
943.98408

>  <Cat> (391)
S0563

>  <Name> (391)
10-Deacetyl-7-xylosyl paclitaxel

>  <Synonyms> (391)
10-Deacetyl-7-xylosyltaxol, 7-xylosyl-10-deacetylpaclitaxel

>  <Target> (391)
Others

>  <Form> (391)
free base

>  <CAS> (391)
90332-63-1

>  <URL> (391)
http://www.selleckchem.com/products/10-deacetyl-7-xylosyl-paclitaxel.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C10H12N4O2

>  <MolWeight> (392)
220.22788

>  <Cat> (392)
E0363

>  <Name> (392)
Compound 11

>  <Target> (392)
Secretase

>  <Form> (392)
free base

>  <CAS> (392)
842964-18-5

>  <URL> (392)
http://www.selleckchem.com/products/compound-11.html

$$$$

csChFnd80/04022413592D

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>  <Mol_ID> (393)
393

>  <Formula> (393)
C23H25N3O4S2

>  <MolWeight> (393)
471.5923

>  <Cat> (393)
E0808

>  <Name> (393)
BI-6C9

>  <Target> (393)
Others

>  <Form> (393)
free base

>  <CAS> (393)
791835-21-7

>  <URL> (393)
http://www.selleckchem.com/products/bl-6C9.html

$$$$

csChFnd80/04022413592D

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 41 43  1  0  0  0  0
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M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C32H47N5O6S

>  <MolWeight> (394)
629.81048

>  <Cat> (394)
E1014

>  <Name> (394)
Upamostat (WX-671)

>  <Synonyms> (394)
WX-671

>  <Target> (394)
Serine Protease

>  <Form> (394)
free base

>  <CAS> (394)
590368-25-5

>  <URL> (394)
http://www.selleckchem.com/products/upamostat-wx-671.html

$$$$

csChFnd80/04022413592D

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    3.6373    2.1756    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C13H24N2O4

>  <MolWeight> (395)
272.34066

>  <Cat> (395)
E1138

>  <Name> (395)
CQ31

>  <Target> (395)
Others

>  <Form> (395)
free base

>  <URL> (395)
http://www.selleckchem.com/products/cq31.html

$$$$

csChFnd80/04022413592D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   12.3813    0.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
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 15 16  2  0  0  0  0
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 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C15H12ClN3O

>  <MolWeight> (396)
285.72828

>  <Cat> (396)
E1150

>  <Name> (396)
SIRT7 inhibitor 97491

>  <Target> (396)
Sirtuin

>  <Form> (396)
free base

>  <CAS> (396)
1807758-81-1

>  <URL> (396)
http://www.selleckchem.com/products/sirt7-inhibitor-97491.html

$$$$

csChFnd80/04022413592D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
 22  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 26  8  1  1  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
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 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 25  1  0  0  0  0
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C22H30O8

>  <MolWeight> (397)
422.4688

>  <Cat> (397)
E2354

>  <Name> (397)
Valepotriate

>  <Form> (397)
free base

>  <CAS> (397)
18296-44-1

>  <URL> (397)
http://www.selleckchem.com/products/valepotriate.html

$$$$

csChFnd80/04022413592D

 24 24  0  0  0  0  0  0  0  0999 V2000
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 21  9  1  6  0  0  0
 10 12  1  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C17H31N3O4

>  <MolWeight> (398)
341.44574

>  <Cat> (398)
P1134

>  <Name> (398)
diprotin A

>  <Synonyms> (398)
Ile-Pro-Ile

>  <Target> (398)
Others

>  <Form> (398)
Diacetate

>  <CAS> (398)
90614-48-5

>  <URL> (398)
http://www.selleckchem.com/products/diprotin-a.html

$$$$

csChFnd80/04022413592D

 35 40  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
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 19 25  1  1  0  0  0
  2 26  1  1  0  0  0
  5 27  1  1  0  0  0
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 23 30  1  1  0  0  0
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 17 34  1  6  0  0  0
 20 35  1  6  0  0  0
M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C27H43NO2

>  <MolWeight> (399)
413.63582

>  <Cat> (399)
S3309

>  <Name> (399)
Solasodine

>  <Synonyms> (399)
Purapuridine, Solancarpidine, Solasodin, Salasodine, Salasdine

>  <Target> (399)
MMP

>  <Form> (399)
free base

>  <CAS> (399)
126-17-0

>  <URL> (399)
http://www.selleckchem.com/products/solasodine.html

$$$$

csChFnd80/04022413592D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 14  3  1  1  0  0  0
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 10 15  1  0  0  0  0
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 11 12  2  0  0  0  0
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 15 16  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 19  2  0  0  0  0
 18 24  1  0  0  0  0
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 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C22H20F2N2O4

>  <MolWeight> (400)
414.4020064

>  <Cat> (400)
S0479

>  <Name> (400)
ZK824859

>  <Synonyms> (400)
N/A

>  <Target> (400)
Serine Protease

>  <Form> (400)
Free base

>  <CAS> (400)
2254001-81-3

>  <URL> (400)
http://www.selleckchem.com/products/zk824859.html

$$$$

csChFnd80/04022413592D

 29 30  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
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 12  7  1  0  0  0  0
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 26 22  1  0  0  0  0
 20  3  1  1  0  0  0
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M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C21H30N2O6

>  <MolWeight> (401)
406.4727

>  <Cat> (401)
S1522

>  <Name> (401)
Tosedostat (CHR2797)

>  <Target> (401)
Aminopeptidase

>  <Form> (401)
Free base

>  <CAS> (401)
238750-77-1

>  <URL> (401)
http://www.selleckchem.com/products/CHR-2797(Tosedostat).html

$$$$

csChFnd80/04022413592D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C22H20F5N3O3

>  <MolWeight> (402)
469.404516

>  <Cat> (402)
S1575

>  <Name> (402)
RO4929097

>  <Synonyms> (402)
RG-4733

>  <Target> (402)
Secretase

>  <Form> (402)
Free base

>  <CAS> (402)
847925-91-1

>  <URL> (402)
http://www.selleckchem.com/products/RO4929097.html

$$$$

csChFnd80/04022413592D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C25H14F7N5

>  <MolWeight> (403)
517.4009824

>  <Cat> (403)
S3395

>  <Name> (403)
Tegobuvir

>  <Synonyms> (403)
TGV, GS 333126, GS-9190

>  <Target> (403)
HCV Protease

>  <Form> (403)
Free base

>  <CAS> (403)
1000787-75-6

>  <URL> (403)
http://www.selleckchem.com/products/tegobuvir.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C20H20N4O2

>  <MolWeight> (404)
348.3984

>  <Cat> (404)
S6933

>  <Name> (404)
GEN-6776

>  <Synonyms> (404)
N/A

>  <Target> (404)
DUB

>  <Form> (404)
Free base

>  <CAS> (404)
2009273-71-4

>  <URL> (404)
http://www.selleckchem.com/products/gen-6776.html

$$$$

csChFnd80/04022413592D

 33 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C22H30FN3O7

>  <MolWeight> (405)
467.4879032

>  <Cat> (405)
S7023

>  <Name> (405)
Z-VAD-FMK

>  <Synonyms> (405)
Z-VAD(OMe)-FMK

>  <Target> (405)
Caspase

>  <Form> (405)
Free base

>  <CAS> (405)
187389-52-2

>  <URL> (405)
http://www.selleckchem.com/products/z-vad-fmk.html

$$$$

csChFnd80/04022413592D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C19H18F3N5O2S

>  <MolWeight> (406)
437.4387296

>  <Cat> (406)
S8600

>  <Name> (406)
Elenbecestat

>  <Synonyms> (406)
E2609

>  <Target> (406)
BACE

>  <Form> (406)
Free base

>  <CAS> (406)
1388651-30-6

>  <URL> (406)
http://www.selleckchem.com/products/elenbecestat.html

$$$$

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M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C29H27NO8

>  <MolWeight> (407)
517.52658

>  <Cat> (407)
S8966

>  <Name> (407)
T-5224

>  <Synonyms> (407)
N/A

>  <Target> (407)
MMP

>  <Form> (407)
Free base

>  <CAS> (407)
530141-72-1

>  <URL> (407)
http://www.selleckchem.com/products/t-5224.html

$$$$

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M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C47H57ClN8O5

>  <MolWeight> (408)
849.45908

>  <Cat> (408)
S8967

>  <Name> (408)
XL177A

>  <Synonyms> (408)
N/A

>  <Target> (408)
DUB

>  <Form> (408)
Free base

>  <CAS> (408)
2417089-74-6

>  <URL> (408)
http://www.selleckchem.com/products/xl177a.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C24H33ClN4O8

>  <MolWeight> (409)
540.99382

>  <Cat> (409)
S9727

>  <Name> (409)
Ac-YVAD-cmk

>  <Synonyms> (409)
Caspase-1 Inhibitor II

>  <Target> (409)
Interleukins

>  <Form> (409)
Free base

>  <URL> (409)
http://www.selleckchem.com/products/ac-yvad-cmk.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C26H37ClN4O8

>  <MolWeight> (410)
569.04698

>  <Cat> (410)
S9817

>  <Name> (410)
Ac-FLTD-CMK

>  <Synonyms> (410)
N/A

>  <Target> (410)
Pyroptosis

>  <Form> (410)
Free base

>  <CAS> (410)
2376255-48-8

>  <URL> (410)
http://www.selleckchem.com/products/ac-fltd-cmk.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C22H21Cl2N7O

>  <MolWeight> (411)
470.35444

>  <Cat> (411)
E0116

>  <Name> (411)
PF-06446846 hydrochloride

>  <Synonyms> (411)
PF846

>  <Target> (411)
PCSK9

>  <Form> (411)
Hydrochloride

>  <CAS> (411)
1632250-50-0

>  <URL> (411)
http://www.selleckchem.com/products/pf-06446846-hydrochloride.html

$$$$

csChFnd80/04022413592D

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M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C30H37N3O4S

>  <MolWeight> (412)
535.69748

>  <Cat> (412)
E1098

>  <Name> (412)
MF-094

>  <Target> (412)
DUB

>  <Form> (412)
Free base

>  <CAS> (412)
2241025-68-1

>  <URL> (412)
http://www.selleckchem.com/products/mf-094.html

$$$$

csChFnd80/04022413592D

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   10.3148    1.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2871    0.6992    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2403    1.6803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4395    2.6775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.0762    1.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3699    2.2140    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.8916    3.4955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3841   10.2245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.1205    9.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1485   10.9288    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.7807   10.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4844    3.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.4893    3.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4045    2.8553    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   25.4123    3.7802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4557    3.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2433    2.6506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0077    3.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3907    5.0942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3109    7.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6875    8.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6875    9.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3109    9.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2378   11.3685    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   10.8899    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   19.8316    1.5556    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   21.9282   11.1259    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   23.9680    2.1800    0.0000 Na  0  3  0  0  0  0  0  0  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  6  1  0  0  0  0
  6 12  1  6  0  0  0
  8 13  1  6  0  0  0
  7 14  1  1  0  0  0
 11 15  1  1  0  0  0
 10 16  1  1  0  0  0
 13 21  1  0  0  0  0
 22 16  1  6  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 22  1  0  0  0  0
 27 28  1  1  0  0  0
 23 29  1  1  0  0  0
 25 30  1  1  0  0  0
 24 31  1  6  0  0  0
 28 32  1  0  0  0  0
 28 33  2  0  0  0  0
 34 30  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 41 40  1  6  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 41  1  0  0  0  0
 42 48  1  1  0  0  0
 44 49  1  1  0  0  0
 43 50  1  6  0  0  0
 47 51  1  0  0  0  0
 47 52  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 53  1  0  0  0  0
 39 59  1  6  0  0  0
 17 19  2  0  0  0  0
 17 18  2  0  0  0  0
 15 17  1  0  0  0  0
 17 20  1  0  0  0  0
 60 61  2  0  0  0  0
 60 62  1  0  0  0  0
 63 65  2  0  0  0  0
 63 64  2  0  0  0  0
 63 66  1  0  0  0  0
 21 63  1  0  0  0  0
 60 67  2  0  0  0  0
 60 59  1  0  0  0  0
 68 69  2  0  0  0  0
 68 70  1  0  0  0  0
 68 71  2  0  0  0  0
 73 74  2  0  0  0  0
 73 75  1  0  0  0  0
 73 76  2  0  0  0  0
 77 78  2  0  0  0  0
 77 79  1  0  0  0  0
 77 80  2  0  0  0  0
 81 82  2  0  0  0  0
 81 83  1  0  0  0  0
 81 84  2  0  0  0  0
 85 86  2  0  0  0  0
 85 87  1  0  0  0  0
 85 88  2  0  0  0  0
 68 72  1  0  0  0  0
 35 89  1  6  0  0  0
 89 90  1  0  0  0  0
 90 73  1  0  0  0  0
 37 40  1  1  0  0  0
 77 50  1  0  0  0  0
 54 49  1  6  0  0  0
 55 91  1  1  0  0  0
 56 92  1  6  0  0  0
 57 93  1  6  0  0  0
 53 94  1  1  0  0  0
 94 95  1  0  0  0  0
 81 95  1  0  0  0  0
 93 96  1  0  0  0  0
 92 85  1  0  0  0  0
 46 47  1  6  0  0  0
 38 72  1  1  0  0  0
M  CFW  50 BOND_GSTEREO 4
M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C31H43N3Na10O49S8

>  <MolWeight> (413)
1728.08152

>  <Cat> (413)
S3736

>  <Name> (413)
Fondaparinux Sodium (Org 31540)

>  <Synonyms> (413)
Natural heparin pentasaccharide Sodium, Fondaparin sodium, SR-90107A

>  <Target> (413)
Factor Xa

>  <Form> (413)
Sodium salt

>  <CAS> (413)
114870-03-0

>  <URL> (413)
http://www.selleckchem.com/products/fondaparinux-sodium.html

$$$$

csChFnd80/04022413592D

 31 35  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.8000    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    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    3.6374    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    6.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4110    2.9991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    6.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2846    5.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7805    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7172    3.7484    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
 11  1  1  6  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  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
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C22H20ClN7O

>  <MolWeight> (414)
433.8935

>  <Cat> (414)
S0849

>  <Name> (414)
PF-06446846

>  <Synonyms> (414)
N/A

>  <Target> (414)
Others

>  <Form> (414)
Free base

>  <CAS> (414)
1632250-49-7

>  <URL> (414)
http://www.selleckchem.com/products/pf-06446846.html

$$$$
Phenylthiourea
csChFnd80/04022413592D

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.6201    2.6673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    1.3337    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6673    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  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C7H8N2S

>  <MolWeight> (415)
152.21682

>  <Cat> (415)
E2908

>  <Name> (415)
1-PHENYL-2-THIOUREA

>  <Synonyms> (415)
N-Phenylthiourea, PTU, Phenylthiocarbamide

>  <Target> (415)
Tyrosinase

>  <Form> (415)
Free base

>  <CAS> (415)
103-85-5

>  <URL> (415)
https://www.selleckchem.com/products/1-phenyl-2-thiourea.html

$$$$
N-[(Phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-formyl-3-methylbutyl]-L-leucin...
csChFnd80/04022413592D

 34 34  0  0  1  0  0  0  0  0999 V2000
    4.0011    6.9300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3347    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685   10.0100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0011   10.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    9.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    9.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0043    7.7000    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  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  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
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  6  0  0  0
 11 16  1  1  0  0  0
 11 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C26H41N3O5

>  <MolWeight> (416)
475.62084

>  <Cat> (416)
E2899

>  <Name> (416)
MG132 SSS

>  <Synonyms> (416)
Z-Leu-Leu-Leu-al, MG132

>  <Target> (416)
Cysteine Protease

>  <Form> (416)
Free base

>  <CAS> (416)
133407-82-6

>  <URL> (416)
https://www.selleckchem.com/products/mg-132-sss.html

$$$$
CB5175767.MOL
csChFnd80/04022413592D

 35 39  0  0  1  0  0  0  0  0999 V2000
    1.9341   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C25H29FN4O5

>  <MolWeight> (417)
484.5199632

>  <Cat> (417)
E2886

>  <Name> (417)
LY3000328

>  <Synonyms> (417)
Z-FL-COCHO, Compound 5

>  <Target> (417)
Cysteine Protease

>  <Form> (417)
Free base

>  <CAS> (417)
1373215-15-6

>  <URL> (417)
https://www.selleckchem.com/products/ly3000328.html

$$$$
0Chemicalbook1933514-13-6.MOL
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (418)
419

>  <Formula> (418)
C26H26FN5O4

>  <MolWeight> (418)
491.5141432

>  <Cat> (418)
E1342

>  <Name> (418)
Sebetralstat

>  <Synonyms> (418)
KVD900

>  <Target> (418)
Serine protease

>  <Form> (418)
free base

>  <CAS> (418)
1933514-13-6

>  <URL> (418)
https://www.selleckchem.com/products/sebetralstat-kvd900.html

$$$$
(3bS,4aR)-N-[(1S)-1-[3-[4-Chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoro...
csChFnd80/04022413592D

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M  END
>  <Mol_ID> (419)
420

>  <Formula> (419)
C39H32ClF10N7O5S2

>  <MolWeight> (419)
968.282312

>  <Cat> (419)
S9633

>  <Name> (419)
GS-6207

>  <Synonyms> (419)
Lenacapavir

>  <Target> (419)
HIV Protease

>  <Form> (419)
Free base

>  <CAS> (419)
2189684-44-2

>  <URL> (419)
https://www.selleckchem.com/products/gs-6207.html

$$$$
Saquinavir mesylate
csChFnd80/04022413592D

 56 59  0  0  0  0  0  0  0  0999 V2000
    6.6684   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021   11.5500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0021   10.0100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3358   12.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    9.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    9.2400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6694   11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   10.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031   12.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674   14.6300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   12.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636   15.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1036   12.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   13.8600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347   14.6300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0021   14.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347   16.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021   16.1700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6684   16.9400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3358   16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684   18.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   18.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021   19.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0041   11.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3378   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0041   14.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3378   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6716   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6716   14.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358   15.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347   17.7100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    1.5400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5426    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  1  0  0  0
  3  5  1  1  0  0  0
  3  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  1  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  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
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 17  1  6  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 50  1  1  0  0  0
 29 31  1  0  0  0  0
 29 51  1  1  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 44 45  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  2  0  0  0  0
 47 49  2  0  0  0  0
 48 49  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  2  0  0  0  0
 52 55  2  0  0  0  0
 52 56  1  0  0  0  0
M  END
>  <Mol_ID> (420)
421

>  <Formula> (420)
C39H54N6O8S

>  <MolWeight> (420)
766.94646

>  <Cat> (420)
E4466

>  <Name> (420)
Saquinavir Mesylate

>  <Synonyms> (420)
Ro 31-8959/003

>  <Target> (420)
HIV Protease

>  <Form> (420)
Mesylate 

>  <CAS> (420)
149845-06-7

>  <URL> (420)
https://www.selleckchem.com/products/saquinavir-mesylate.html

$$$$
Thiorphan
csChFnd80/04022413592D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.6201    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.6675    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9302    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    4.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    6.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (421)
422

>  <Formula> (421)
C12H15NO3S

>  <MolWeight> (421)
253.3174

>  <Cat> (421)
E4454

>  <Name> (421)
DL-Thiorphan

>  <Synonyms> (421)
DL-3-Mercapto-2-benzylpropanoylglycine

>  <Target> (421)
Neprilysin

>  <Form> (421)
Free base

>  <CAS> (421)
76721-89-6

>  <URL> (421)
https://www.selleckchem.com/products/dl-thiorphan.html

$$$$
NÎ±-Tosyl-L-phenylalanine chloromethyl ketone
csChFnd80/04022413592D

 23 24  0  0  1  0  0  0  0  0999 V2000
    3.8500    5.3347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6200    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    6.6685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    5.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    8.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6685    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    6.6685    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  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (422)
423

>  <Formula> (422)
C17H18ClNO3S

>  <MolWeight> (422)
351.84772

>  <Cat> (422)
E4030

>  <Name> (422)
N-p-Tosyl-L-phenylalanine chloromethyl keton

>  <Synonyms> (422)
Tosyl phenylalanyl chloromethyl ketone, TPCK

>  <Target> (422)
Others

>  <Form> (422)
Free base

>  <CAS> (422)
402-71-1

>  <URL> (422)
https://www.selleckchem.com/products/n-p-tosyl-l-phenylalanine-chloromethyl

$$$$
AÎ²25-35
csChFnd80/04022413592D

 73 72  0  0  1  0  0  0  0  0999 V2000
   20.0057    8.4702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.3393    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    9.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    6.9302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.6731    8.4702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393   10.7802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0068    9.2402    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0045    9.2402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3383    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0068   10.7802    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6708    8.4702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6742    9.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405   11.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6731   11.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0080    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405   13.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372   10.7802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3416    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    9.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.6753    8.4702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.3416   10.7802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0090    9.2402    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0023    9.2402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3360    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3428    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0090   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    8.4702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3428    6.9302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.6765    9.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3428   11.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360   11.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6765    6.1601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   34.6765   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3428   13.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3360   13.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   37.3438    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3428    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.0101    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   10.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697   15.4003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3337    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   40.0113    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  1  0  0  0
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 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
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 38 43  1  0  0  0  0
 39 44  1  0  0  0  0
 41 45  1  0  0  0  0
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 42 48  2  0  0  0  0
 43 49  1  0  0  0  0
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 44 51  1  0  0  0  0
 47 52  1  0  0  0  0
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 49 54  1  0  0  0  0
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 51 56  1  0  0  0  0
 51 57  2  0  0  0  0
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 53 59  1  0  0  0  0
 54 60  1  0  0  0  0
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M  END
>  <Mol_ID> (423)
424

>  <Formula> (423)
C45H81N13O14S

>  <MolWeight> (423)
1060.26834

>  <Cat> (423)
E2948

>  <Name> (423)
¦Â-Amyloid (25-35)

>  <Synonyms> (423)
Amyloid beta-peptide (25-35); A¦Â25-35; ¦Â-Amyloid peptide (25-35), ¦Â-µí·ÛÑùµ°°× (25-35)

>  <Target> (423)
Beta Amyloid

>  <Form> (423)
peptide  

>  <CAS> (423)
131602-53-4

>  <URL> (423)
https://www.selleckchem.com/products/beta-amyloid-25-35.html

$$$$
2-(Chloromethyl)-6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4(3H)-one
csChFnd80/04022413592D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.0011    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.8647    3.0800    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7994    4.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7994    1.8341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7047    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2447    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0147    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0147    1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5547    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5547    1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3247    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 14 15  2  0  0  0  0
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 15 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (424)
425

>  <Formula> (424)
C13H8Cl2N2OS

>  <MolWeight> (424)
311.18642

>  <Cat> (424)
E1812

>  <Name> (424)
N6F11

>  <Target> (424)
Ferroptosis

>  <Form> (424)
Free base

>  <CAS> (424)
851398-76-0

>  <URL> (424)
https://www.selleckchem.com/products/n6f11.html

$$$$
Benzamide, N-hydroxy-4-[[5-(2-thienyl)-1H-tetrazol-1-yl]methyl]-
csChFnd80/04022413592D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.4902    3.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6503    3.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4203    5.1047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4203    2.4374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9603    5.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7202    2.4374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2020    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6265    3.2598    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1445    5.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0302    3.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8002    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
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  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14 15  2  0  0  0  0
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 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (425)
426

>  <Formula> (425)
C13H11N5O2S

>  <MolWeight> (425)
301.32374

>  <Cat> (425)
E1469

>  <Name> (425)
ITF3756

>  <Target> (425)
HDAC6?selective inhibitors

>  <Form> (425)
Free base

>  <CAS> (425)
2247608-27-9

>  <URL> (425)
https://www.selleckchem.com/products/itf3756.html

$$$$
3-[[4-[1-[[(3S)-1-[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoin...
csChFnd80/04022413592D

 53 60  0  0  1  0  0  0  0  0999 V2000
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   24.2647    7.8784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0462    7.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   29.1819    2.7221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3338    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (426)
427

>  <Formula> (426)
C39H45N9O5

>  <MolWeight> (426)
719.8319

>  <Cat> (426)
E1381

>  <Name> (426)
NX-2127

>  <Target> (426)
BTK

>  <Form> (426)
free base

>  <CAS> (426)
2416131-46-7

>  <URL> (426)
https://www.selleckchem.com/products/nx-2127.html

$$$$
6-(4-Cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluo...
csChFnd80/04022413592D

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   15.2606    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5193    4.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1456    3.5542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.9261    5.5874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.8928    6.3679    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (427)
428

>  <Formula> (427)
C27H25F3N8O

>  <MolWeight> (427)
534.5356096

>  <Cat> (427)
E1214

>  <Name> (427)
KSQ-4279

>  <Synonyms> (427)
USP1-IN-1

>  <Target> (427)
DUB

>  <Form> (427)
free base

>  <CAS> (427)
2446480-97-1

>  <URL> (427)
https://www.selleckchem.com/products/ksq-4279.html

$$$$
N-Acetyl-L-tryptophyl-6-diazo-5-oxo-L-norleucine 1-methylethyl ester
csChFnd80/04022413592D

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 30 32  1  0  0  0  0
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M  END
>  <Mol_ID> (428)
429

>  <Formula> (428)
C22H27N5O5

>  <MolWeight> (428)
441.48028

>  <Cat> (428)
E1203

>  <Name> (428)
Sirpiglenastat

>  <Synonyms> (428)
DRP-104

>  <Target> (428)
Glutaminase

>  <Form> (428)
Free base

>  <CAS> (428)
2079939-05-0

>  <URL> (428)
https://www.selleckchem.com/products/sirpiglenastat.html

$$$$
