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azd6244.cdx
csChFnd80/04192210382D

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CI1040.cdx
csChFnd80/04192210382D

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212631-79-3

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391210-10-9

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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
464.58642

>  <Cat> (5)
S1048

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

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
Free Base

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

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

$$$$
Y-27632 2HCL.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (6)
6

>  <Formula> (6)
C14H23Cl2N3O

>  <MolWeight> (6)
320.25792

>  <Cat> (6)
S1049

>  <Name> (6)
Y-27632 2HCl

>  <Synonyms> (6)
N/A

>  <Target> (6)
ROCK

>  <Form> (6)
Dihydrochloride

>  <CAS> (6)
129830-38-2

>  <URL> (6)
http://www.selleckchem.com/products/Y-27632.html

$$$$
AZD2281.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C24H23FN4O3

>  <MolWeight> (7)
434.4628232

>  <Cat> (7)
S1060

>  <Name> (7)
Olaparib (AZD2281, Ku-0059436)

>  <Synonyms> (7)
KU-0059436 

>  <Target> (7)
PARP 

>  <Form> (7)
Free Base

>  <CAS> (7)
763113-22-0

>  <URL> (7)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

$$$$
untitled.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C22H16N4O3

>  <MolWeight> (8)
384.38744

>  <Cat> (8)
S1067

>  <Name> (8)
SB 431542

>  <Synonyms> (8)
N/A

>  <Target> (8)
TGF-beta/Smad

>  <Form> (8)
Free Base

>  <CAS> (8)
301836-41-9

>  <URL> (8)
http://www.selleckchem.com/products/SB-431542.html

$$$$

csChFnd80/04192210382D

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>  <Mol_ID> (9)
9

>  <Formula> (9)
C25H23Cl2N5O

>  <MolWeight> (9)
480.38902

>  <Cat> (9)
S1078

>  <Name> (9)
MK-2206 dihydrochloride

>  <Synonyms> (9)
N/A

>  <Target> (9)
Akt

>  <Form> (9)
Dihydrochloride

>  <CAS> (9)
1032350-13-2

>  <URL> (9)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
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>  <Target> (10)
ATM 

>  <Form> (10)
Free Base

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587871-26-9

>  <URL> (10)
http://www.selleckchem.com/products/KU-55933.html

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>  <Mol_ID> (11)
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>  <Formula> (11)
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>  <Synonyms> (11)
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>  <Target> (11)
IGF-1R

>  <Form> (11)
Free Base

>  <CAS> (11)
1089283-49-7

>  <URL> (11)
http://www.selleckchem.com/products/GSK1904529A.html

$$$$
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>  <Mol_ID> (12)
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>  <MolWeight> (12)
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>  <Synonyms> (12)
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>  <Target> (12)
c-Met 

>  <Form> (12)
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>  <CAS> (12)
956905-27-4

>  <URL> (12)
http://www.selleckchem.com/products/PF-04217903.html

$$$$
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755038-02-9

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c-Met 

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943540-75-8

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http://www.selleckchem.com/products/JNJ-38877605.html

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Hydrochloride

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1001645-58-4

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http://www.selleckchem.com/products/SRT1720.html

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 10 11  2  0  0  0  0
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 16 20  1  0  0  0  0
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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C31H43N3O8

>  <MolWeight> (17)
585.68842

>  <Cat> (17)
S1141

>  <Name> (17)
17-AAG (Tanespimycin)

>  <Synonyms> (17)
N/A 

>  <Target> (17)
HSP

>  <Form> (17)
Free Base

>  <CAS> (17)
75747-14-7

>  <URL> (17)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
untitled.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C26H30FN7O3

>  <MolWeight> (18)
507.5599032

>  <Cat> (18)
S1147

>  <Name> (18)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (18)
AZD1152 

>  <Target> (18)
Aurora Kinase

>  <Form> (18)
Free Base

>  <CAS> (18)
722544-51-6

>  <URL> (18)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
CP-724,714.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C27H27N5O3

>  <MolWeight> (19)
469.53498

>  <Cat> (19)
S1167

>  <Name> (19)
CP-724714

>  <Synonyms> (19)
N/A

>  <Target> (19)
EGFR, HER2

>  <Form> (19)
Free Base

>  <CAS> (19)
537705-08-1

>  <URL> (19)
http://www.selleckchem.com/products/CP-724714.html

$$$$
TGX-221.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C21H17NO3

>  <MolWeight> (24)
331.36458

>  <Cat> (24)
S1186

>  <Name> (24)
BIBR1532

>  <Synonyms> (24)
N/A

>  <Target> (24)
Telomerase

>  <Form> (24)
Free Base

>  <CAS> (24)
321674-73-1

>  <URL> (24)
http://www.selleckchem.com/products/BIBR1532.html

$$$$
Aprepitant.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (25)
25

>  <Formula> (25)
C23H21F7N4O3

>  <MolWeight> (25)
534.4266624

>  <Cat> (25)
S1189

>  <Name> (25)
Aprepitant (MK-0869)

>  <Synonyms> (25)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (25)
Substance P

>  <Form> (25)
Free Base

>  <CAS> (25)
170729-80-3

>  <URL> (25)
http://www.selleckchem.com/products/Aprepitant.html

$$$$
KU-0063794.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (26)
26

>  <Formula> (26)
C25H31N5O4

>  <MolWeight> (26)
465.54474

>  <Cat> (26)
S1226

>  <Name> (26)
Ku-0063794

>  <Synonyms> (26)
N/A

>  <Target> (26)
mTOR 

>  <Form> (26)
Free Base

>  <CAS> (26)
938440-64-3

>  <URL> (26)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
PD173074.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (27)
27

>  <Formula> (27)
C28H41N7O3

>  <MolWeight> (27)
523.67024

>  <Cat> (27)
S1264

>  <Name> (27)
PD173074

>  <Synonyms> (27)
N/A

>  <Target> (27)
FGFR, VEGFR

>  <Form> (27)
Free Base

>  <CAS> (27)
219580-11-7

>  <URL> (27)
http://www.selleckchem.com/products/PD-173074.html

$$$$
WYE-354.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C24H29N7O5

>  <MolWeight> (28)
495.53096

>  <Cat> (28)
S1266

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WYE-354

>  <Synonyms> (28)
N/A

>  <Target> (28)
mTOR 

>  <Form> (28)
Free Base

>  <CAS> (28)
1062169-56-5

>  <URL> (28)
http://www.selleckchem.com/products/WYE-354.html

$$$$
PLX-4032.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C23H18ClF2N3O3S

>  <MolWeight> (29)
489.9221264

>  <Cat> (29)
S1267

>  <Name> (29)
Vemurafenib (PLX4032, RG7204)

>  <Synonyms> (29)
RO5185426

>  <Target> (29)
Raf 

>  <Form> (29)
Free Base

>  <CAS> (29)
918504-65-1

>  <URL> (29)
http://www.selleckchem.com/products/PLX-4032.html

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/04192210382D

 42 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C30H24N4O8

>  <MolWeight> (30)
568.53356

>  <Cat> (30)
S3057

>  <Name> (30)
Azilsartan Medoxomil (TAK-491)

>  <Synonyms> (30)
N/A

>  <Target> (30)
RAAS

>  <Form> (30)
Free Base

>  <CAS> (30)
863031-21-4

>  <URL> (30)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

$$$$
Medetomidine hcl.cdx
csChFnd80/04192210382D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C13H17ClN2

>  <MolWeight> (31)
236.74048

>  <Cat> (31)
S3060

>  <Name> (31)
Medetomidine HCl

>  <Synonyms> (31)
N/A

>  <Target> (31)
Adrenergic Receptor

>  <Form> (31)
HCl

>  <CAS> (31)
86347-15-1

>  <URL> (31)
http://www.selleckchem.com/products/medetomidine-hcl.html

$$$$
Prucalopride.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C18H26ClN3O3

>  <MolWeight> (32)
367.87034

>  <Cat> (32)
S2875

>  <Name> (32)
Prucalopride

>  <Synonyms> (32)
N/A

>  <Target> (32)
5-HT Receptor

>  <Form> (32)
Free Base

>  <CAS> (32)
179474-81-8

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

$$$$
TG100-115.cdx
csChFnd80/04192210382D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 10 12  1  0  0  0  0
  1 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 20  2  0  0  0  0
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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C18H14N6O2

>  <MolWeight> (33)
346.34276

>  <Cat> (33)
S1352

>  <Name> (33)
TG100-115

>  <Synonyms> (33)
N/A

>  <Target> (33)
PI3K

>  <Form> (33)
Free Base

>  <CAS> (33)
677297-51-7

>  <URL> (33)
http://www.selleckchem.com/products/TG100-115.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C31H31ClFN7O2

>  <MolWeight> (34)
588.0749432

>  <Cat> (34)
S1451

>  <Name> (34)
Aurora A Inhibitor I

>  <Synonyms> (34)
N/A

>  <Target> (34)
Aurora Kinase

>  <Form> (34)
Free Base

>  <CAS> (34)
1158838-45-9

>  <URL> (34)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/04192210382D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C30H33ClN4O2

>  <MolWeight> (35)
517.06162

>  <Cat> (35)
S1452

>  <Name> (35)
Ispinesib (SB-715992)

>  <Synonyms> (35)
N/A 

>  <Target> (35)
Kinesin

>  <Form> (35)
Free Base

>  <CAS> (35)
336113-53-2

>  <URL> (35)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
untitled.cdx
csChFnd80/04192210382D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (36)
36

>  <Formula> (36)
C19H16N6O4S

>  <MolWeight> (36)
424.43314

>  <Cat> (36)
S1456

>  <Name> (36)
Zibotentan (ZD4054)

>  <Synonyms> (36)
N/A

>  <Target> (36)
ETA Receptor

>  <Form> (36)
Free Base

>  <CAS> (36)
186497-07-4

>  <URL> (36)
http://www.selleckchem.com/products/Zibotentan(ZD4054).html

$$$$
FCE28073.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (37)
37

>  <Formula> (37)
C18H23FN2O5S

>  <MolWeight> (37)
398.4490232

>  <Cat> (37)
S1472

>  <Name> (37)
Safinamide Mesylate (FCE28073)

>  <Synonyms> (37)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (37)
MAO

>  <Form> (37)
Mesylate

>  <CAS> (37)
202825-46-5

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

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>  <Mol_ID> (38)
38

>  <Formula> (38)
C21H16F4N4O2

>  <MolWeight> (38)
432.3709528

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S1474

>  <Name> (38)
GSK429286A

>  <Synonyms> (38)
N/A

>  <Target> (38)
ROCK 

>  <Form> (38)
Free Base

>  <CAS> (38)
864082-47-3

>  <URL> (38)
http://www.selleckchem.com/products/GSK429286A.html

$$$$
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>  <Mol_ID> (39)
39

>  <Formula> (39)
C15H15FIN3O3

>  <MolWeight> (39)
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>  <Cat> (39)
S1475

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Pimasertib (AS-703026)

>  <Synonyms> (39)
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>  <Target> (39)
MEK 

>  <Form> (39)
Free Base

>  <CAS> (39)
1236699-92-5

>  <URL> (39)
http://www.selleckchem.com/products/AS703026.html

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>  <Mol_ID> (40)
40

>  <Formula> (40)
C40H50N8O6

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738.875

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S1482

>  <Name> (40)
Daclatasvir (BMS-790052)

>  <Synonyms> (40)
N/A

>  <Target> (40)
HCV Protease

>  <Form> (40)
Free Base

>  <CAS> (40)
1009119-64-5

>  <URL> (40)
http://www.selleckchem.com/products/BMS-790052.html

$$$$
CIALIS (tadalafil).cdx
csChFnd80/04192210382D

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>  <Mol_ID> (41)
41

>  <Formula> (41)
C22H19N3O4

>  <MolWeight> (41)
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>  <Name> (41)
Tadalafil (Cialis)

>  <Synonyms> (41)
IC 351

>  <Target> (41)
PDE

>  <Form> (41)
Free Base

>  <CAS> (41)
171596-29-5

>  <URL> (41)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

$$$$
MK-1775.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (42)
42

>  <Formula> (42)
C27H32N8O2

>  <MolWeight> (42)
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>  <Cat> (42)
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>  <Name> (42)
MK-1775

>  <Synonyms> (42)
N/A 

>  <Target> (42)
Wee1

>  <Form> (42)
Free Base

>  <CAS> (42)
955365-80-7

>  <URL> (42)
http://www.selleckchem.com/products/MK-1775.html

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/04192210382D

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>  <Mol_ID> (43)
43

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Dapagliflozin

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SGLT 

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Free Base

>  <CAS> (43)
461432-26-8

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

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Acardi, pimobendane

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PDE

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Free Base

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74150-27-9

>  <URL> (44)
http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

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45

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C25H31N5O4

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AZD8055

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mTOR

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Free Base

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1009298-09-2

>  <URL> (45)
http://www.selleckchem.com/products/AZD8055.html

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SEN0014196

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Sirtuin

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49843-98-3

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http://www.selleckchem.com/products/EX-527.html

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925701-49-1

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>  <Mol_ID> (48)
48

>  <Formula> (48)
C26H21N3O2S

>  <MolWeight> (48)
439.52884

>  <Cat> (48)
S1577

>  <Name> (48)
Tie2 kinase inhibitor

>  <Synonyms> (48)
N/A

>  <Target> (48)
Tie-2

>  <Form> (48)
Free Base

>  <CAS> (48)
948557-43-5

>  <URL> (48)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$
Apixaban.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (49)
49

>  <Formula> (49)
C25H25N5O4

>  <MolWeight> (49)
459.4971

>  <Cat> (49)
S1593

>  <Name> (49)
Apixaban

>  <Synonyms> (49)
N/A

>  <Target> (49)
Factor Xa 

>  <Form> (49)
Free Base

>  <CAS> (49)
503612-47-3

>  <URL> (49)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

$$$$
ALLI (orlistat).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C29H53NO5

>  <MolWeight> (50)
495.73482

>  <Cat> (50)
S1629

>  <Name> (50)
Orlistat (Alli, Xenical)

>  <Synonyms> (50)
Tetrahydrolipstatin

>  <Target> (50)
Lipase

>  <Form> (50)
Free Base

>  <CAS> (50)
96829-58-2

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

$$$$
CTEP.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (51)
51

>  <Formula> (51)
C19H13ClF3N3O

>  <MolWeight> (51)
391.7742296

>  <Cat> (51)
S2861

>  <Name> (51)
CTEP (RO4956371)

>  <Synonyms> (51)
N/A

>  <Target> (51)
GluR

>  <Form> (51)
Free Base

>  <CAS> (51)
871362-31-1

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

$$$$
Raltegravir.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (52)
52

>  <Formula> (52)
C20H21FN6O5

>  <MolWeight> (52)
444.4163432

>  <Cat> (52)
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>  <Name> (52)
Raltegravir (MK-0518)

>  <Synonyms> (52)
Isentress 

>  <Target> (52)
Integrase

>  <Form> (52)
Free Base

>  <CAS> (52)
518048-05-0

>  <URL> (52)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

$$$$
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>  <Mol_ID> (53)
53

>  <Formula> (53)
C30H29N5O5

>  <MolWeight> (53)
539.58176

>  <Cat> (53)
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>  <Name> (53)
AMG458

>  <Synonyms> (53)
N/A

>  <Target> (53)
c-Met

>  <Form> (53)
Free Base

>  <CAS> (53)
913376-83-7 

>  <URL> (53)
http://www.selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (54)
54

>  <Formula> (54)
C29H27N7O4S

>  <MolWeight> (54)
569.63418

>  <Cat> (54)
S2752

>  <Name> (54)
HER2 Inhibitor 1

>  <Synonyms> (54)
N/A

>  <Target> (54)
HER2, EGFR

>  <Form> (54)
Free Base

>  <CAS> (54)
937265-83-3

>  <URL> (54)
http://www.selleckchem.com/products/arry-380.html

$$$$
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Cannabinoid Receptor

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Free Base

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666260-75-9

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http://www.selleckchem.com/products/gw-842166x.html

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mTOR

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1009298-59-2

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>  <URL> (66)
http://www.selleckchem.com/products/a-803467.html

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72

>  <Formula> (72)
C31H34Cl2N2O3

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553.51926

>  <Cat> (72)
S2182

>  <Name> (72)
SB743921 HCl

>  <Synonyms> (72)
N/A

>  <Target> (72)
Kinesin

>  <Form> (72)
Hydrochloride

>  <CAS> (72)
940929-33-9

>  <URL> (72)
http://www.selleckchem.com/products/SB-743921.html

$$$$
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>  <Mol_ID> (73)
73

>  <Formula> (73)
C23H25ClFN5O3

>  <MolWeight> (73)
473.9277032

>  <Cat> (73)
S2192

>  <Name> (73)
AZD8931

>  <Synonyms> (73)
N/A

>  <Target> (73)
EGFR, HER2

>  <Form> (73)
Free Base

>  <CAS> (73)
848942-61-0

>  <URL> (73)
http://www.selleckchem.com/products/AZD8931.html

$$$$
GSK 461364.cdx
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>  <Mol_ID> (74)
74

>  <Formula> (74)
C27H28F3N5O2S

>  <MolWeight> (74)
543.6037296

>  <Cat> (74)
S2193

>  <Name> (74)
GSK461364

>  <Synonyms> (74)
N/A

>  <Target> (74)
PLK

>  <Form> (74)
Free Base

>  <CAS> (74)
929095-18-1

>  <URL> (74)
http://www.selleckchem.com/products/GSK461364.html

$$$$
Mubritinib.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (75)
75

>  <Formula> (75)
C25H23F3N4O2

>  <MolWeight> (75)
468.4709296

>  <Cat> (75)
S2216

>  <Name> (75)
Mubritinib (TAK 165)

>  <Synonyms> (75)
TAK 165, TAK165

>  <Target> (75)
HER2

>  <Form> (75)
Free Base

>  <CAS> (75)
366017-09-6

>  <URL> (75)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
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STAT

>  <Form> (76)
Free Base

>  <CAS> (76)
35825-57-1

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

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77

>  <Formula> (77)
C33H40O15

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676.6617

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Icariin

>  <Synonyms> (77)
N/A

>  <Target> (77)
PDE

>  <Form> (77)
Free Base

>  <CAS> (77)
489-32-7

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

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PCI-32765 (Ibrutinib)

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N/A

>  <Target> (78)
Src

>  <Form> (78)
Free Base

>  <CAS> (78)
936563-96-1

>  <URL> (78)
http://www.selleckchem.com/products/pci-32765.html

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untitled.cdx
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N/A 

>  <Target> (79)
Factor Xa

>  <Form> (79)
Free Base

>  <CAS> (79)
366789-02-8

>  <URL> (79)
http://www.selleckchem.com/products/Rivaroxaban.html

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1292799-56-4 

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566939-85-3

>  <URL> (85)
http://www.selleckchem.com/products/TAK-700.html

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mTOR

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Free Base

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1062159-35-6 

>  <URL> (86)
http://www.selleckchem.com/products/way-600.html

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LY2603618.cdx
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911222-45-2

>  <URL> (87)
http://www.selleckchem.com/products/LY2603618-IC-83.html

$$$$
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csChFnd80/04192210382D

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624-49-7

>  <URL> (88)
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FAAH

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1196109-52-0

>  <URL> (90)
http://www.selleckchem.com/products/pf-3845.html

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http://www.selleckchem.com/products/cp-91149.html

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>  <Mol_ID> (93)
94

>  <Formula> (93)
C14H16ClF2N3S

>  <MolWeight> (93)
331.8117464

>  <Cat> (93)
S2695

>  <Name> (93)
Nepicastat hydrochloride

>  <Synonyms> (93)
SYN117

>  <Target> (93)
Hydroxylase

>  <Form> (93)
Hydrochloride

>  <CAS> (93)
170151-24-3

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

$$$$
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>  <Mol_ID> (94)
95

>  <Formula> (94)
C24H25ClFN5O2

>  <MolWeight> (94)
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>  <Cat> (94)
S2727

>  <Name> (94)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (94)
N/A

>  <Target> (94)
EGFR

>  <Form> (94)
Free Base

>  <CAS> (94)
1110813-31-4

>  <URL> (94)
http://www.selleckchem.com/products/pf299804.html

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>  <Mol_ID> (95)
96

>  <Formula> (95)
C16H10ClN3O5

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S2729

>  <Name> (95)
SB 415286

>  <Synonyms> (95)
N/A

>  <Target> (95)
GSK-3

>  <Form> (95)
Free Base

>  <CAS> (95)
264218-23-7

>  <URL> (95)
http://www.selleckchem.com/products/sb-415286.html

$$$$
INK 128.cdx
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>  <Mol_ID> (96)
97

>  <Formula> (96)
C15H15N7O

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>  <Cat> (96)
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>  <Name> (96)
INK 128 (MLN0128)

>  <Synonyms> (96)
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>  <Target> (96)
mTOR 

>  <Form> (96)
Free Base

>  <CAS> (96)
1224844-38-5

>  <URL> (96)
http://www.selleckchem.com/products/ink128.html

$$$$
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668270-12-0

>  <URL> (97)
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Aurora Kinase

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1010085-13-8

>  <URL> (98)
http://www.selleckchem.com/products/mk-5108-vx-689.html

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PDGFR

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>  <CAS> (99)
670220-88-9

>  <URL> (99)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

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>  <URL> (101)
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504433-23-2

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607742-69-8

>  <URL> (109)
http://www.selleckchem.com/products/sb-742457.html

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ZM 323881 HCl

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>  <Mol_ID> (111)
112

>  <Formula> (111)
C15H13ClFNO2

>  <MolWeight> (111)
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Lumiracoxib (COX-189)

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N/A

>  <Target> (111)
COX

>  <Form> (111)
Free Base

>  <CAS> (111)
220991-20-8

>  <URL> (111)
http://www.selleckchem.com/products/lumiracoxib-cox-189.html

$$$$
JNJ7777120.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (112)
113

>  <Formula> (112)
C14H16ClN3O

>  <MolWeight> (112)
277.74934

>  <Cat> (112)
S2905

>  <Name> (112)
JNJ-7777120

>  <Synonyms> (112)
JNJ 7777120

>  <Target> (112)
Histamine Receptor

>  <Form> (112)
Free Base

>  <CAS> (112)
459168-41-3

>  <URL> (112)
http://www.selleckchem.com/products/jnj-7777120.html

$$$$
IOX2.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (113)
114

>  <Formula> (113)
C19H16N2O5

>  <MolWeight> (113)
352.34074

>  <Cat> (113)
S2919

>  <Name> (113)
IOX2

>  <Synonyms> (113)
N/A

>  <Target> (113)
HIF

>  <Form> (113)
Free Base

>  <CAS> (113)
931398-72-0

>  <URL> (113)
http://www.selleckchem.com/products/iox2.html

$$$$
Ambrisentan.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (114)
115

>  <Formula> (114)
C22H22N2O4

>  <MolWeight> (114)
378.42108

>  <Cat> (114)
S2097

>  <Name> (114)
Ambrisentan

>  <Synonyms> (114)
N/A

>  <Target> (114)
Endothelin Receptor

>  <Form> (114)
Free Base

>  <CAS> (114)
177036-94-1

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (115)
116

>  <Formula> (115)
C18H23Cl2NO

>  <MolWeight> (115)
340.28732

>  <Cat> (115)
S2499

>  <Name> (115)
Phenoxybenzamine HCl

>  <Synonyms> (115)
N/A

>  <Target> (115)
Androgen Receptor

>  <Form> (115)
HCl

>  <CAS> (115)
63-92-3

>  <URL> (115)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

$$$$
Sulbactam sodium.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (116)
117

>  <Formula> (116)
C8H10NNaO5S

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>  <Name> (116)
Sulbactam sodium (Unasyn)

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N/A

>  <Target> (116)
Antifection

>  <Form> (116)
Sodium  salt

>  <CAS> (116)
69388-84-7

>  <URL> (116)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

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aspirin.cdx
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118

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C9H8O4

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180.15742

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Aspirin (Acetylsalicylic acid)

>  <Synonyms> (117)
N/A

>  <Target> (117)
COX

>  <Form> (117)
Free Base

>  <CAS> (117)
50-78-2

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

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GNF-2.cdx
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119

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C18H13F3N4O2

>  <MolWeight> (118)
374.3166296

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S2899

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GNF-2

>  <Synonyms> (118)
N/A

>  <Target> (118)
Bcr-Abl

>  <Form> (118)
Free Base

>  <CAS> (118)
778270-11-4

>  <URL> (118)
http://www.selleckchem.com/products/gnf-2.html

$$$$
PF-04981517.cdx
csChFnd80/04192210382D

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>  <Formula> (119)
C26H32N8

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>  <Form> (119)
Free Base

>  <CAS> (119)
1390637-82-7

>  <URL> (119)
http://www.selleckchem.com/products/pf-4981517.html

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csChFnd80/04192210382D

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Procollagen C Proteinase

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>  <CAS> (120)
348622-88-8

>  <URL> (120)
http://www.selleckchem.com/products/uk-383367.html

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1403764-72-6

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330784-47-9

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M  END
>  <Mol_ID> (125)
126

>  <Formula> (125)
C27H24N2O9

>  <MolWeight> (125)
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>  <Cat> (125)
S4904

>  <Name> (125)
JZL184

>  <Synonyms> (125)
N/A

>  <Target> (125)
Lipase

>  <Form> (125)
Free Base

>  <CAS> (125)
1101854-58-3

>  <URL> (125)
http://www.selleckchem.com/products/jzl184.html

$$$$
RIMADYL (carprofen).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (126)
127

>  <Formula> (126)
C15H12ClNO2

>  <MolWeight> (126)
273.71428

>  <Cat> (126)
S4136

>  <Name> (126)
Carprofen

>  <Synonyms> (126)
N/A

>  <Target> (126)
COX

>  <Form> (126)
Free Base

>  <CAS> (126)
53716-49-7

>  <URL> (126)
http://www.selleckchem.com/products/carprofen.html

$$$$
Eprosartan mesylate.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (127)
128

>  <Formula> (127)
C24H28N2O7S2

>  <MolWeight> (127)
520.61832

>  <Cat> (127)
S4102

>  <Name> (127)
Eprosartan Mesylate

>  <Synonyms> (127)
N/A

>  <Target> (127)
RAAS

>  <Form> (127)
Mesylate

>  <CAS> (127)
144143-96-4 

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

$$$$
S4246.cdx
csChFnd80/04192210382D

 12 11  0  0  0  0  0  0  0  0999 V2000
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A   12
relative stereochemistry
M  END
>  <Mol_ID> (128)
129

>  <Formula> (128)
C9H12ClNR

>  <MolWeight> (128)
169.65128

>  <Cat> (128)
S4246

>  <Name> (128)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (128)
N/A

>  <Target> (128)
MAO

>  <Form> (128)
Hydrochloride

>  <CAS> (128)
4548-34-9

>  <URL> (128)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Daidzin.cdx
csChFnd80/04192210382D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
130

>  <Formula> (129)
C21H20O9

>  <MolWeight> (129)
416.3781

>  <Cat> (129)
S2289

>  <Name> (129)
Daidzin

>  <Synonyms> (129)
N/A

>  <Target> (129)
Others

>  <Form> (129)
Free Base

>  <CAS> (129)
552-66-9

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

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/04192210382D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (130)
131

>  <Formula> (130)
C19H20F3IN2O5S

>  <MolWeight> (130)
572.3371796

>  <Cat> (130)
S1089

>  <Name> (130)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (130)
BAY 869766

>  <Target> (130)
MEK

>  <Form> (130)
Free Base

>  <CAS> (130)
923032-37-5

>  <URL> (130)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04192210382D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
132

>  <Formula> (131)
C24H25ClFN5O3

>  <MolWeight> (131)
485.9384032

>  <Cat> (131)
S1011

>  <Name> (131)
Afatinib (BIBW2992)

>  <Synonyms> (131)
N/A

>  <Target> (131)
EGFR

>  <Form> (131)
Free Base

>  <CAS> (131)
439081-18-2

>  <URL> (131)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/04192210382D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (132)
133

>  <Formula> (132)
C22H26ClF2NO4

>  <MolWeight> (132)
441.8959464

>  <Cat> (132)
S1549

>  <Name> (132)
Nebivolol HCl

>  <Synonyms> (132)
N/A

>  <Target> (132)
Adrenergic Receptor

>  <Form> (132)
Hydrochloride

>  <CAS> (132)
152520-56-4

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

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/04192210382D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
134

>  <Formula> (133)
C14H16ClF2N3S

>  <MolWeight> (133)
331.8117464

>  <Cat> (133)
S4926

>  <Name> (133)
(R)-Nepicastat HCl

>  <Synonyms> (133)
RS-25560-198 HCl

>  <Target> (133)
Hydroxylase

>  <Form> (133)
Hydrochloride

>  <CAS> (133)
195881-94-8

>  <URL> (133)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

$$$$
S4002.cdx
csChFnd80/04192210382D

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 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
M  END
>  <Mol_ID> (134)
135

>  <Formula> (134)
C16H20F6N5O6P

>  <MolWeight> (134)
523.3240802

>  <Cat> (134)
S4002

>  <Name> (134)
Sitagliptin phosphate monohydrate

>  <Synonyms> (134)
MK-0431

>  <Target> (134)
DPP-4

>  <Form> (134)
phosphate &monohydrate

>  <CAS> (134)
654671-77-9

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

$$$$
S4586 4-Chloro-DL-phenylalanine.cdx
csChFnd80/04192210382D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0591    2.1227    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2715    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6342    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
136

>  <Formula> (135)
C9H10ClNO2

>  <MolWeight> (135)
199.6342

>  <Cat> (135)
S4586

>  <Name> (135)
4-Chloro-DL-phenylalanine

>  <Synonyms> (135)
Fenclonine, PCPA, CP-10188

>  <Target> (135)
Hydroxylase

>  <Form> (135)
Free Base

>  <CAS> (135)
7424-00-2

>  <URL> (135)
http://www.selleckchem.com/products/4-chloro-dl-phenylalanine.html

$$$$
S4610 Mebendazole.cdx
csChFnd80/04192210382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4104    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4484    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5093    2.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6101    3.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7946    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
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  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
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 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (136)
137

>  <Formula> (136)
C16H13N3O3

>  <MolWeight> (136)
295.29272

>  <Cat> (136)
S4610

>  <Name> (136)
Mebendazole

>  <Synonyms> (136)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (136)
Antifection

>  <Form> (136)
Free Base

>  <CAS> (136)
31431-39-7

>  <URL> (136)
http://www.selleckchem.com/products/mebendazole.html

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/04192210382D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  1 15  2  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (137)
138

>  <Formula> (137)
C19H27NO3

>  <MolWeight> (137)
317.42258

>  <Cat> (137)
S1789

>  <Name> (137)
Tetrabenazine (Nitoman, Xenazine)

>  <Synonyms> (137)
N/A

>  <Target> (137)
5-alpha Reductase

>  <Form> (137)
Free Base

>  <CAS> (137)
58-46-8

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

$$$$
Pantoprazole.cdx
csChFnd80/04192210382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2966    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3966    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  1 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
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (138)
139

>  <Formula> (138)
C16H15F2N3O4S

>  <MolWeight> (138)
383.3698064

>  <Cat> (138)
S2105

>  <Name> (138)
Pantoprazole (Protonix)

>  <Synonyms> (138)
N/A

>  <Target> (138)
Proton Pump

>  <Form> (138)
Free Base

>  <CAS> (138)
102625-70-7

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

$$$$
MK4827.cdx
csChFnd80/04192210382D

 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
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    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
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  3  4  1  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (139)
140

>  <Formula> (139)
C19H20N4O

>  <MolWeight> (139)
320.3883

>  <Cat> (139)
S2741

>  <Name> (139)
MK-4827(Niraparib)

>  <Synonyms> (139)
N/A

>  <Target> (139)
PARP

>  <Form> (139)
Free Base

>  <CAS> (139)
1038915-60-4

>  <URL> (139)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/04192210382D

  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
    2.4560    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616    4.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    4.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    2.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662    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
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (140)
141

>  <Formula> (140)
C6H7NO2

>  <MolWeight> (140)
125.12528

>  <Cat> (140)
S3692

>  <Name> (140)
N-Ethylmaleimide (NEM)

>  <Synonyms> (140)
N/A

>  <Target> (140)
cysteine peptidases

>  <Form> (140)
free base

>  <CAS> (140)
128-53-0

>  <URL> (140)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/04192210382D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    2.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    5.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4044    2.5401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    3.5301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    1.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3944    3.5301    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9612    3.5679    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
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  6  8  2  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 10  1  0  0  0  0
  3 18  1  1  0  0  0
  2 19  1  0  0  0  0
 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (141)
142

>  <Formula> (141)
C7H10N3NaO6S

>  <MolWeight> (141)
287.22557

>  <Cat> (141)
S3732

>  <Name> (141)
Avibactam sodium

>  <Synonyms> (141)
AVE-1330A, NXL104

>  <Target> (141)
 ¦Â-lactamase

>  <Form> (141)
sodium salt

>  <CAS> (141)
1192491-61-4

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

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/04192210382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.4337    4.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2995    5.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    5.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1227    6.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    5.5344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2323    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    4.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592    6.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4541    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055    7.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401    6.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029    8.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    7.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    8.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  7 11  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
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 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (142)
143

>  <Formula> (142)
C15H14N4O2S

>  <MolWeight> (142)
314.36226

>  <Cat> (142)
S3673

>  <Name> (142)
Sulfaphenazole

>  <Synonyms> (142)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (142)
CYP2C9

>  <Form> (142)
free base

>  <CAS> (142)
526-08-9

>  <URL> (142)
http://www.selleckchem.com/products/sulfaphenazole.html

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/04192210382D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (143)
144

>  <Formula> (143)
C9H9BrO2

>  <MolWeight> (143)
229.07056

>  <Cat> (143)
S3678

>  <Name> (143)
PTP Inhibitor II

>  <Synonyms> (143)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (143)
PTP

>  <Form> (143)
free base

>  <CAS> (143)
2632-13-5

>  <URL> (143)
http://www.selleckchem.com/products/ptp-inhibitor-2.html

$$$$
INCB28060.cdx
csChFnd80/04192210382D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    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
    9.8185    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7822    4.7401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1615    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7788    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5150    2.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6339    4.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3994    4.5211    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
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 10 11  1  0  0  0  0
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 17 18  2  0  0  0  0
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 12 16  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 18 19  1  0  0  0  0
  5 15  1  0  0  0  0
  9 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
>  <Mol_ID> (144)
145

>  <Formula> (144)
C23H17FN6O

>  <MolWeight> (144)
412.4190832

>  <Cat> (144)
S2788

>  <Name> (144)
Capmatinib (INCB28060)

>  <Synonyms> (144)
N/A

>  <Target> (144)
c-Met 

>  <Form> (144)
Free Base

>  <CAS> (144)
1029712-80-8

>  <URL> (144)
http://www.selleckchem.com/products/incb28060.html

$$$$
Torin 1.cdx
csChFnd80/04192210382D

 45 51  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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PAK

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Free Base

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42521-82-4

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https://www.selleckchem.com/products/ipa-3.html

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Src

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172889-27-9

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EGFR

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194423-15-9

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https://www.selleckchem.com/products/pd168393.html

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Histone Methyltransferase

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1338466-77-5

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https://www.selleckchem.com/products/epz004777.html

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csChFnd80/04192210382D

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M  END
>  <Mol_ID> (150)
151

>  <Formula> (150)
C9H2Cl4O2

>  <MolWeight> (150)
283.92298

>  <Cat> (150)
S7140

>  <Name> (150)
TCID

>  <Synonyms> (150)
UCH-L3 Inhibitor

>  <Target> (150)
DUB

>  <Form> (150)
Free Base

>  <CAS> (150)
30675-13-9

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

$$$$
CNX-2006.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (151)
152

>  <Formula> (151)
C26H27F4N7O2

>  <MolWeight> (151)
545.5318928

>  <Cat> (151)
S7206

>  <Name> (151)
CNX-2006

>  <Synonyms> (151)
N/A

>  <Target> (151)
EGFR

>  <Form> (151)
Free Base

>  <CAS> (151)
1375465-09-0

>  <URL> (151)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
S4800 Daminozide.cdx
csChFnd80/04192210382D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
153

>  <Formula> (152)
C6H12N2O3

>  <MolWeight> (152)
160.17108

>  <Cat> (152)
S4800

>  <Name> (152)
Daminozide

>  <Synonyms> (152)
Aminozide, Succinic Acid

>  <Target> (152)
PHF8,KDM2A 

>  <Form> (152)
free base

>  <CAS> (152)
1596-84-5

>  <URL> (152)
http://www.selleckchem.com/products/daminozide.html

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (153)
154

>  <Formula> (153)
C36H35BrN2O6

>  <MolWeight> (153)
671.5769

>  <Cat> (153)
S4854

>  <Name> (153)
Bedaquiline fumarate

>  <Synonyms> (153)
TMC-207

>  <Target> (153)
Antifection

>  <Form> (153)
fumarate

>  <CAS> (153)
845533-86-0

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

$$$$
S4935 Asunaprevir.cdx
csChFnd80/04192210382D

 51 55  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (154)
155

>  <Formula> (154)
C35H46ClN5O9S

>  <MolWeight> (154)
748.28584

>  <Cat> (154)
S4935

>  <Name> (154)
Asunaprevir

>  <Synonyms> (154)
BMS-650032

>  <Target> (154)
hepatitis C virus enzyme serine protease NS

>  <Form> (154)
free base

>  <CAS> (154)
630420-16-5

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

$$$$
S4856 Iproniazid.cdx
csChFnd80/04192210382D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
156

>  <Formula> (155)
C9H13N3O

>  <MolWeight> (155)
179.21902

>  <Cat> (155)
S4856

>  <Name> (155)
Iproniazid

>  <Synonyms> (155)
Marsilid, Iprazid

>  <Target> (155)
MAO

>  <Form> (155)
free base

>  <CAS> (155)
54-92-2

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

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (156)
157

>  <Formula> (156)
C11H6F3NO2S

>  <MolWeight> (156)
273.2310496

>  <Cat> (156)
S8005

>  <Name> (156)
SMI-4a

>  <Synonyms> (156)
N/A

>  <Target> (156)
Pim

>  <Form> (156)
Free Base

>  <CAS> (156)
438190-29-5

>  <URL> (156)
http://www.selleckchem.com/products/smi-4a.html

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (157)
158

>  <Formula> (157)
C25H26Cl3N7O

>  <MolWeight> (157)
546.87924

>  <Cat> (157)
S8012

>  <Name> (157)
CP-945598 HCl

>  <Synonyms> (157)
N/A

>  <Target> (157)
Cannabinoid Receptor

>  <Form> (157)
Hydrochloride

>  <CAS> (157)
686347-12-6

>  <URL> (157)
http://www.selleckchem.com/products/cp-945598-hcl.html

$$$$
GW 9508.cdx
csChFnd80/04192210382D

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885101-89-3

>  <URL> (158)
http://www.selleckchem.com/products/gw9508.html

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PPAR

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Free Base

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317318-84-6

>  <URL> (159)
http://www.selleckchem.com/products/gw0742.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/04192210382D

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161

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C18H20N2O4S

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TCS 359

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N/A

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FLT3

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Free Base

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301305-73-7

>  <URL> (160)
http://www.selleckchem.com/products/tcs-359.html

$$$$
NSC23766.cdx
csChFnd80/04192210382D

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162

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NSC 23766

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Rac

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HCl

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1177865-17-6

>  <URL> (161)
http://www.selleckchem.com/products/nsc-23766.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/04192210382D

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Sodium Monofluorophosphate

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Sodium Fluorophosphate

>  <Target> (162)
Others
phosphatase

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Disodium salt

>  <CAS> (162)
10163-15-2

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

$$$$
ABT-199.cdx
csChFnd80/04192210382D

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864070-44-0

>  <URL> (164)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

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1268524-70-4

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19983-44-9

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870483-87-7

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654065

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GSK3787.cdx
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PPAR

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Free Base

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188591-46-0

>  <URL> (169)
https://www.selleckchem.com/products/gsk3787.html

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mTOR

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1207360-89-1

>  <URL> (170)
https://www.selleckchem.com/products/gdc-0349.html

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>  <Mol_ID> (171)
172

>  <Formula> (171)
C30H40ClN7O3S

>  <MolWeight> (171)
614.2017

>  <Cat> (171)
S1108

>  <Name> (171)
TAE684 (NVP-TAE684)

>  <Synonyms> (171)
N/A 

>  <Target> (171)
ALK 

>  <Form> (171)
Free Base

>  <CAS> (171)
761439-42-3

>  <URL> (171)
http://www.selleckchem.com/products/NVP-TAE684.html

$$$$
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csChFnd80/04192210382D

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>  <Mol_ID> (172)
173

>  <Formula> (172)
C18H13N7S

>  <MolWeight> (172)
359.40772

>  <Cat> (172)
S1112

>  <Name> (172)
SGX-523

>  <Synonyms> (172)
N/A

>  <Target> (172)
c-Met 

>  <Form> (172)
Free Base

>  <CAS> (172)
1022150-57-7

>  <URL> (172)
http://www.selleckchem.com/products/SGX-523.html

$$$$
s1023.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (173)
174

>  <Formula> (173)
C22H24ClN3O4

>  <MolWeight> (173)
429.89666

>  <Cat> (173)
S1023

>  <Name> (173)
Erlotinib(OSI-744)

>  <Synonyms> (173)
(CP358774, NSC 718781) HCl

>  <Target> (173)
EGFR

>  <Form> (173)
Hydrochloride

>  <CAS> (173)
183319-69-9

>  <URL> (173)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
(-)-Huperzine A.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (174)
175

>  <Formula> (174)
C15H18N2O

>  <MolWeight> (174)
242.31622

>  <Cat> (174)
S2251

>  <Name> (174)
(-)-Huperzine A (HupA)

>  <Synonyms> (174)
N/A

>  <Target> (174)
AChR & GluR

>  <Form> (174)
Free Base

>  <CAS> (174)
102518-79-6

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

$$$$
ly404039.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (175)
176

>  <Formula> (175)
C7H9NO6S

>  <MolWeight> (175)
235.21446

>  <Cat> (175)
S6001

>  <Name> (175)
LY2140023 (LY404039)

>  <Synonyms> (175)
N/A 

>  <Target> (175)
GluR

>  <Form> (175)
Free Base

>  <CAS> (175)
635318-11-5

>  <URL> (175)
http://www.selleckchem.com/products/LY2140023(LY404039).html

$$$$
SCH 900776.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (176)
177

>  <Formula> (176)
C15H18BrN7

>  <MolWeight> (176)
376.25432

>  <Cat> (176)
S2735

>  <Name> (176)
MK-8776 (SCH 900776)

>  <Synonyms> (176)
N/A

>  <Target> (176)
CHK

>  <Form> (176)
Free Base

>  <CAS> (176)
891494-63-6

>  <URL> (176)
http://www.selleckchem.com/products/sch-900776.html

$$$$
CCT137690.cdx
csChFnd80/04192210382D

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1095382-05-0

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http://www.selleckchem.com/products/cct137690.html

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418805-02-4

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http://www.selleckchem.com/products/pyr-41.html

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Histone Methyltransferase

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1802175-06-9

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667463-85-6

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http://www.selleck.cn/products/bio-acetoxime.html

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709002-46-0

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>  <Mol_ID> (184)
185

>  <Formula> (184)
C20H22ClN7O

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BAY 1895344

>  <Synonyms> (184)
N/A

>  <Target> (184)
ATR

>  <Form> (184)
hydrochloride

>  <CAS> (184)
1876467-74-1(free base)

>  <URL> (184)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/04192210382D

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>  <Mol_ID> (185)
186

>  <Formula> (185)
C17H15N9

>  <MolWeight> (185)
345.3613

>  <Cat> (185)
S7674

>  <Name> (185)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (185)
Volitinib

>  <Target> (185)
MET

>  <Form> (185)
free base

>  <CAS> (185)
1313725-88-0

>  <URL> (185)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
WT161.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (186)
187

>  <Formula> (186)
C27H30N4O3

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WT161

>  <Synonyms> (186)
N/A

>  <Target> (186)
HDAC1,2,6

>  <Form> (186)
free base

>  <CAS> (186)
1206731-57-8

>  <URL> (186)
http://www.selleckchem.com/products/wt161.html

$$$$
EPZ005687.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (187)
188

>  <Formula> (187)
C32H37N5O3

>  <MolWeight> (187)
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>  <Cat> (187)
S7004

>  <Name> (187)
EPZ005687

>  <Synonyms> (187)
N/A

>  <Target> (187)
Histone Methyltransferase

>  <Form> (187)
Free Base

>  <CAS> (187)
1396772-26-1

>  <URL> (187)
http://www.selleckchem.com/products/epz005687.html

$$$$
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SKI II

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SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (188)
S1P Receptor

>  <Form> (188)
Free Base

>  <CAS> (188)
312636-16-1

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

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>  <Target> (189)
PDK-1

>  <Form> (189)
Free Base

>  <CAS> (189)
1227911-45-6

>  <URL> (189)
http://www.selleckchem.com/products/gsk2334470.html

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Thiamet G 

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N/A

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Others

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Free Base

>  <CAS> (190)
1009816-48-1

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

$$$$
RGFP966.cdx
csChFnd80/04192210382D

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RGFP966

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N/A

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HDAC

>  <Form> (191)
Free Base

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1396841-57-8

>  <URL> (191)
http://www.selleckchem.com/products/rgfp966.html

$$$$
dynasore .cdx
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>  <Form> (192)
Free Base

>  <CAS> (192)
304448-55-3

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

$$$$
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csChFnd80/04192210382D

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Histone Methyltransferase

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Free Base

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GPR

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802904-66-1

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218156-96-8

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>  <Mol_ID> (201)
202

>  <Formula> (201)
C18H15N2NaO4

>  <MolWeight> (201)
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>  <Cat> (201)
S7167

>  <Name> (201)
SSR128129E (SSR)

>  <Synonyms> (201)
SSR

>  <Target> (201)
FGFR

>  <Form> (201)
Free Base

>  <CAS> (201)
848318-25-2

>  <URL> (201)
http://www.selleckchem.com/products/ssr128129e.html

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M  END
>  <Mol_ID> (202)
203

>  <Formula> (202)
C33H43N7O2

>  <MolWeight> (202)
569.74022

>  <Cat> (202)
S7165

>  <Name> (202)
UNC1999

>  <Synonyms> (202)
N/A

>  <Target> (202)
Histone Methyltransferase

>  <Form> (202)
Free Base

>  <CAS> (202)
1431612-23-5

>  <URL> (202)
http://www.selleckchem.com/products/unc1999.html

$$$$
GSK2606414.cdx
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>  <Mol_ID> (203)
204

>  <Formula> (203)
C24H20F3N5O

>  <MolWeight> (203)
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>  <Cat> (203)
S7307

>  <Name> (203)
GSK2606414

>  <Synonyms> (203)
N/A

>  <Target> (203)
PERK

>  <Form> (203)
Free Base

>  <CAS> (203)
1337531-36-8

>  <URL> (203)
http://www.selleckchem.com/products/gsk2606414.html

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>  <Mol_ID> (204)
205

>  <Formula> (204)
C22H22FN5O3

>  <MolWeight> (204)
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>  <Cat> (204)
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>  <Name> (204)
CC-292 (AVL-292)

>  <Synonyms> (204)
CC-292

>  <Target> (204)
BTK

>  <Form> (204)
Free Base

>  <CAS> (204)
1202757-89-8

>  <URL> (204)
http://www.selleckchem.com/products/avl-292.html

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M  END
>  <Mol_ID> (209)
210

>  <Formula> (209)
C23H21FN6O

>  <MolWeight> (209)
416.4508432

>  <Cat> (209)
S7033

>  <Name> (209)
GSK2656157

>  <Synonyms> (209)
N/A

>  <Target> (209)
PERK

>  <Form> (209)
Free Base

>  <CAS> (209)
1337532-29-2

>  <URL> (209)
http://www.selleckchem.com/products/gsk2656157.html

$$$$
MK8745.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (210)
211

>  <Formula> (210)
C20H19ClFN5OS

>  <MolWeight> (210)
431.9141632

>  <Cat> (210)
S7065

>  <Name> (210)
MK8745

>  <Synonyms> (210)
N/A

>  <Target> (210)
Aurora Kinase

>  <Form> (210)
Free Base

>  <CAS> (210)
885325-71-3

>  <URL> (210)
http://www.selleckchem.com/products/mk-8745.html

$$$$
Atglistatin.cdx
csChFnd80/04192210382D

 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
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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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M  END
>  <Mol_ID> (211)
212

>  <Formula> (211)
C17H21N3O

>  <MolWeight> (211)
283.36814

>  <Cat> (211)
S7364

>  <Name> (211)
Atglistatin

>  <Synonyms> (211)
N/A

>  <Target> (211)
Lipase

>  <Form> (211)
Free Base

>  <CAS> (211)
1469924-27-3

>  <URL> (211)
http://www.selleckchem.com/products/atglistatin.html

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
csChFnd80/04192210382D

 24 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (212)
213

>  <Formula> (212)
C17H30N2O5

>  <MolWeight> (212)
342.4305

>  <Cat> (212)
S7393

>  <Name> (212)
E-64d(Aloxistatin,Loxistatin£©

>  <Synonyms> (212)
E-64d

>  <Target> (212)
Cysteine Protease

>  <Form> (212)
Free Base

>  <CAS> (212)
88321-09-9

>  <URL> (212)
http://www.selleckchem.com/products/Aloxistatin.html

$$$$
LM-3230 NH125.cdx
csChFnd80/04192210382D

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 12  7  1  0  0  0  0
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 29 27  2  0  0  0  0
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M  END
>  <Mol_ID> (213)
214

>  <Formula> (213)
C27H45IN2

>  <MolWeight> (213)
524.56407

>  <Cat> (213)
S7436

>  <Name> (213)
NH125

>  <Synonyms> (213)
N/A

>  <Target> (213)
CaMK

>  <Form> (213)
iodide

>  <CAS> (213)
278603-08-0

>  <URL> (213)
http://www.selleckchem.com/products/nh125.html

$$$$
LDN193189 HCl.cdx
csChFnd80/04192210382D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (214)
215

>  <Formula> (214)
C25H23ClN6

>  <MolWeight> (214)
442.94332

>  <Cat> (214)
S7507

>  <Name> (214)
LDN193189 HCl

>  <Synonyms> (214)
N/A

>  <Target> (214)
TGF-beta/Smad

>  <Form> (214)
Hydrochloride

>  <CAS> (214)
1062368-62-0

>  <URL> (214)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
1-Azakenpaullone.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (215)
216

>  <Formula> (215)
C15H10BrN3O

>  <MolWeight> (215)
328.1634

>  <Cat> (215)
S7193

>  <Name> (215)
1-Azakenpaullone

>  <Synonyms> (215)
N/A

>  <Target> (215)
GSK-3

>  <Form> (215)
Free Base

>  <CAS> (215)
676596-65-9

>  <URL> (215)
http://www.selleckchem.com/products/1-azakenpaullone.html

$$$$
ISRIB (trans-isomer).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (216)
217

>  <Formula> (216)
C22H24Cl2N2O4

>  <MolWeight> (216)
451.34296

>  <Cat> (216)
S7400

>  <Name> (216)
ISRIB (trans-isomer)

>  <Synonyms> (216)
N/A

>  <Target> (216)
PERK

>  <Form> (216)
Free Base

>  <URL> (216)
http://www.selleckchem.com/products/isrib-trans-isomer.html

$$$$
LM-3267.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (217)
218

>  <Formula> (217)
C19H23N3O3

>  <MolWeight> (217)
341.40422

>  <Cat> (217)
S7473

>  <Name> (217)
Nexturastat A

>  <Synonyms> (217)
N/A

>  <Target> (217)
Nexturastat A

>  <Form> (217)
Free Base

>  <CAS> (217)
1403783-31-2

>  <URL> (217)
http://www.selleckchem.com/products/nexturastat-a.html

$$$$
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csChFnd80/04192210382D

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Dehydrogenase

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Free Base 

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1432660-47-3

>  <URL> (218)
http://www.selleckchem.com/products/agi-6780.html

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N/A

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TGF-beta/Smad

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Free Base

>  <CAS> (219)
1062368-49-3

>  <URL> (219)
http://www.selleckchem.com/products/ml347.html

$$$$
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DMH1

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N/A

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TGF-beta/Smad

>  <Form> (220)
Free Base

>  <CAS> (220)
1206711-16-1

>  <URL> (220)
http://www.selleckchem.com/products/dmh1.html

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CGP 57380

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N/A

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MNK

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Free Base

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522629-08-9

>  <URL> (221)
http://www.selleckchem.com/products/cgp57380.html

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/04192210382D

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223

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Loxistatin Acid (E-64C)

>  <Synonyms> (222)
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>  <Target> (222)
Cysteine Protease

>  <Form> (222)
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>  <CAS> (222)
76684-89-4

>  <URL> (222)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

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1253584-84-7

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EGFR

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1421373-65-0

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http://www.selleckchem.com/products/azd9291.html

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197855-65-5

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N/A

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Phospholipase (e.g. PLA)

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Free Base

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356057-34-6

>  <URL> (227)
http://www.selleckchem.com/products/darapladib-sb-480848.html

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PF-543

>  <Synonyms> (228)
N/A

>  <Target> (228)
S1P Receptor

>  <Form> (228)
Free Base

>  <CAS> (228)
1415562-82-1

>  <URL> (228)
http://www.selleckchem.com/products/pf-543.html

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N/A

>  <Target> (229)
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Free Base

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1217022-63-3

>  <URL> (229)
http://www.selleckchem.com/products/ptc-209-hbr.html

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1073485-20-7

>  <URL> (230)
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232

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ERK

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Free Base

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1234480-50-2

>  <URL> (231)
http://www.selleckchem.com/products/xmd8-92.html

$$$$
CGI1746 .cdx
csChFnd80/04192210382D

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233

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CGI1746

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N/A

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BTK

>  <Form> (232)
Free Base

>  <CAS> (232)
910232-84-7

>  <URL> (232)
http://www.selleckchem.com/products/cgi1746.html

$$$$
PI-1840.cdx
csChFnd80/04192210382D

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PI-1840

>  <Synonyms> (233)
N/A

>  <Target> (233)
Proteasome

>  <Form> (233)
Free Base

>  <CAS> (233)
1401223-22-0

>  <URL> (233)
http://www.selleckchem.com/products/pi-1840.html

$$$$
AEBSF hydrochloride .cdx
csChFnd80/04192210382D

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235

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AEBSF HCl

>  <Synonyms> (234)
N/A

>  <Target> (234)
Serine Protease

>  <Form> (234)
Hydrochloride

>  <CAS> (234)
30827-99-7

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

$$$$
MALT1 inhibitor.cdx
csChFnd80/04192210382D

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MI-2 (MALT1 inhibitor)

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MALT

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Free Base

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1047953-91-2

>  <URL> (235)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

$$$$
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HJC0350

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N/A

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cAMP

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Free Base

>  <CAS> (236)
885434-70-8

>  <URL> (236)
http://www.selleckchem.com/products/hjc0350.html

$$$$
HO-3867.cdx
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238

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HO-3867

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N/A

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STAT

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Free Base

>  <CAS> (237)
1172133-28-6

>  <URL> (237)
http://www.selleckchem.com/products/ho-3867.html

$$$$
SB-3CT.cdx
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MMP

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292605-14-2

>  <URL> (238)
http://www.selleckchem.com/products/sb-3ct.html

$$$$
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HDAC

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Free Base

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1477949-42-0

>  <URL> (239)
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Rho

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Free Base

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No

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http://www.selleckchem.com/products/6h05.html

$$$$
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N/A

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PLK

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Free Base

>  <CAS> (241)
1034616-18-6

>  <URL> (241)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

$$$$
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>  <Synonyms> (242)
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>  <Target> (242)
Caspase

>  <Form> (242)
Free Base

>  <CAS> (242)
210344-95-9

>  <URL> (242)
http://www.selleckchem.com/products/z-devd-fmk.html

$$$$
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1300031-52-0

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477-47-4

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>  <Mol_ID> (252)
253

>  <Formula> (252)
C23H21Cl2FN4O3

>  <MolWeight> (252)
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S7358

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Poziotinib (HM781-36B)

>  <Synonyms> (252)
NOV120101

>  <Target> (252)
EGFR

>  <Form> (252)
Free Base

>  <CAS> (252)
1092364-38-9

>  <URL> (252)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
TH588.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (253)
254

>  <Formula> (253)
C13H12Cl2N4

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S7632

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TH588

>  <Synonyms> (253)
N/A

>  <Target> (253)
MTH1

>  <Form> (253)
Free Base

>  <CAS> (253)
1609960-31-7

>  <URL> (253)
http://www.selleckchem.com/products/th588.html

$$$$
BAF312 (Siponimod).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (254)
255

>  <Formula> (254)
C29H35F3N2O3

>  <MolWeight> (254)
516.5950096

>  <Cat> (254)
S7179

>  <Name> (254)
BAF312 (Siponimod)

>  <Synonyms> (254)
N/A

>  <Target> (254)
S1P Receptor

>  <Form> (254)
Free Base

>  <CAS> (254)
1230487-00-9

>  <URL> (254)
http://www.selleckchem.com/products/baf312-siponimod.html

$$$$
FTI 277 HCl.cdx
csChFnd80/04192210382D

 31 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (255)
256

>  <Formula> (255)
C22H30ClN3O3S2

>  <MolWeight> (255)
484.0749

>  <Cat> (255)
S7465

>  <Name> (255)
FTI 277 HCl

>  <Synonyms> (255)
N/A

>  <Target> (255)
Transferase

>  <Form> (255)
hydrochloride salt

>  <CAS> (255)
180977-34-8

>  <URL> (255)
http://www.selleckchem.com/products/fti-277-hcl.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/04192210382D

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M  END
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257

>  <Formula> (256)
C24H28Cl2N2O4

>  <MolWeight> (256)
479.39612

>  <Cat> (256)
S7720

>  <Name> (256)
SBE 13 HCl

>  <Synonyms> (256)
N/A

>  <Target> (256)
PLK

>  <Form> (256)
Hydrochloride

>  <CAS> (256)
1052532-15-6

>  <URL> (256)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
SD208.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (257)
258

>  <Formula> (257)
C17H10ClFN6

>  <MolWeight> (257)
352.7529032

>  <Cat> (257)
S7624

>  <Name> (257)
SD-208

>  <Synonyms> (257)
N/A

>  <Target> (257)
TGF-beta/Smad

>  <Form> (257)
Free Base

>  <CAS> (257)
627536-09-8

>  <URL> (257)
http://www.selleckchem.com/products/sd-208.html

$$$$
XEN445.cdx
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A   27
(S)-2-(3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid
M  END
>  <Mol_ID> (258)
259

>  <Formula> (258)
C18H17F3N2O3R

>  <MolWeight> (258)
366.3343896

>  <Cat> (258)
S7457

>  <Name> (258)
XEN445

>  <Synonyms> (258)
N/A

>  <Target> (258)
Lipase

>  <Form> (258)
Free Base

>  <CAS> (258)
1515856-92-4

>  <URL> (258)
http://www.selleckchem.com/products/xen445.html

$$$$
BLZ945.cdx
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M  END
>  <Mol_ID> (259)
260

>  <Formula> (259)
C20H22N4O3S

>  <MolWeight> (259)
398.47868

>  <Cat> (259)
S7725

>  <Name> (259)
BLZ945

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N/A

>  <Target> (259)
CSF-1R

>  <Form> (259)
Free Base

>  <CAS> (259)
953769-46-5

>  <URL> (259)
http://www.selleckchem.com/products/blz945.html

$$$$
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 17 18  1  0  0  0  0
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 21 15  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
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 29 30  2  0  0  0  0
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 36 37  2  0  0  0  0
 37 33  1  0  0  0  0
  9 38  1  0  0  0  0
M  END
>  <Mol_ID> (260)
261

>  <Formula> (260)
C28H25FN6O3

>  <MolWeight> (260)
512.5349032

>  <Cat> (260)
S7063

>  <Name> (260)
LY2090314

>  <Synonyms> (260)
603288-22-8

>  <Target> (260)
GSK-3

>  <Form> (260)
Free Base

>  <CAS> (260)
603288-22-8

>  <URL> (260)
http://www.selleckchem.com/products/ly2090314.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/04192210382D

 18 18  0  0  0  0  0  0  0  0999 V2000
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   10.8622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  5  7  1  0  0  0  0
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 10  8  1  0  0  0  0
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 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (261)
262

>  <Formula> (261)
C14H22Cl2N2

>  <MolWeight> (261)
289.24388

>  <Cat> (261)
S7574

>  <Name> (261)
GSK-LSD1 2HCl

>  <Synonyms> (261)
N/A

>  <Target> (261)
Histone Demethylase

>  <Form> (261)
Dihydrochloride

>  <CAS> (261)
1431368-48-7

>  <URL> (261)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/04192210382D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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 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
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    4.4674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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 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
    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
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 25  2  0  0  0  0
 26 31  2  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  0  0  0  0
 10 34  1  0  0  0  0
 34 35  1  0  0  0  0
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 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
M  END
>  <Mol_ID> (262)
263

>  <Formula> (262)
C31H38N6O2

>  <MolWeight> (262)
526.67242

>  <Cat> (262)
S7061

>  <Name> (262)
GSK126

>  <Synonyms> (262)
N/A

>  <Target> (262)
Histone Methyltransferase

>  <Form> (262)
Free Base

>  <CAS> (262)
1346574-57-9

>  <URL> (262)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/04192210382D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9271    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  2  0  0  0  0
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 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (263)
264

>  <Formula> (263)
C20H25N5O3

>  <MolWeight> (263)
383.4442

>  <Cat> (263)
S7748

>  <Name> (263)
EPZ015666

>  <Synonyms> (263)
N/A

>  <Target> (263)
Histone Methyltransferase

>  <Form> (263)
Free Base

>  <CAS> (263)
1616391-65-1

>  <URL> (263)
http://www.selleckchem.com/products/epz015666.html

$$$$
Erlotinib free Base.cdx
csChFnd80/04192210382D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (264)
265

>  <Formula> (264)
C22H23N3O4

>  <MolWeight> (264)
393.43572

>  <Cat> (264)
S7786

>  <Name> (264)
Erlotinib

>  <Synonyms> (264)
CP358774, NSC 718781

>  <Target> (264)
EGFR

>  <Form> (264)
Free Base

>  <CAS> (264)
183321-74-6

>  <URL> (264)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/04192210382D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2717    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (265)
266

>  <Formula> (265)
C18H13BrN4O

>  <MolWeight> (265)
381.22602

>  <Cat> (265)
S7557

>  <Name> (265)
CL-387785 (EKI-785)

>  <Synonyms> (265)
N/A

>  <Target> (265)
EGFR

>  <Form> (265)
Free Base

>  <CAS> (265)
194423-06-8

>  <URL> (265)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (266)
267

>  <Formula> (266)
C24H30ClN7O2

>  <MolWeight> (266)
483.9937

>  <Cat> (266)
S1116

>  <Name> (266)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (266)
N/A

>  <Target> (266)
CDK

>  <Form> (266)
Hydrochloride

>  <CAS> (266)
827022-32-2, 571190-30-2 (free base)

>  <URL> (266)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (267)
268

>  <Formula> (267)
C26H35N7O6S

>  <MolWeight> (267)
573.6644

>  <Cat> (267)
S1579

>  <Name> (267)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (267)
N/A

>  <Target> (267)
CDK

>  <Form> (267)
Isethionate

>  <CAS> (267)
827022-33-3, 571190-30-2(free base)

>  <URL> (267)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (268)
269

>  <Formula> (268)
C32H33ClFN5O11

>  <MolWeight> (268)
718.0827232

>  <Cat> (268)
S7810

>  <Name> (268)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (268)
N/A

>  <Target> (268)
EGFR

>  <Form> (268)
Dimaleate

>  <CAS> (268)
850140-73-7

>  <URL> (268)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
HTH-01-015.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (269)
270

>  <Formula> (269)
C26H28N8O

>  <MolWeight> (269)
468.55352

>  <Cat> (269)
S7318

>  <Name> (269)
HTH-01-015

>  <Synonyms> (269)
N/A

>  <Target> (269)
AMPK

>  <Form> (269)
Free Base

>  <CAS> (269)
1613724-42-7

>  <URL> (269)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/04192210382D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (270)
271

>  <Formula> (270)
C21H21F3IN3O2

>  <MolWeight> (270)
531.3100196

>  <Cat> (270)
S8041

>  <Name> (270)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (270)
XL518

>  <Target> (270)
MEK

>  <Form> (270)
Free Base

>  <CAS> (270)
934660-93-2

>  <URL> (270)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BPTES.cdx
csChFnd80/04192210382D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (271)
272

>  <Formula> (271)
C24H24N6O2S3

>  <MolWeight> (271)
524.68136

>  <Cat> (271)
S7753

>  <Name> (271)
BPTES

>  <Synonyms> (271)
N/A

>  <Target> (271)
Glutaminase

>  <Form> (271)
Free Base

>  <CAS> (271)
314045-39-1

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

$$$$
PFI-4.cdx
csChFnd80/04192210382D

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Epigenetic Reader Domain

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Free Base

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900305-37-5

>  <URL> (272)
http://www.selleckchem.com/products/pfi-4.html

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FIIN-2.cdx
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274

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C35H38N8O4

>  <MolWeight> (273)
634.72742

>  <Cat> (273)
S7714

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FIIN-2

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N/A

>  <Target> (273)
FGFR

>  <Form> (273)
Free Base

>  <CAS> (273)
1633044-56-0

>  <URL> (273)
http://www.selleckchem.com/products/fiin-2.html

$$$$
ORY-1001.cdx
csChFnd80/04192210382D

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275

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ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (274)
N/A

>  <Target> (274)
Histone Demethylase

>  <Form> (274)
Dihydrochloride

>  <CAS> (274)
1431326-61-2

>  <URL> (274)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
Fumagillin.cdx
csChFnd80/04192210382D

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276

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C26H34O7

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>  <Cat> (275)
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>  <Name> (275)
Fumagillin

>  <Synonyms> (275)
N/A

>  <Target> (275)
Others

>  <Form> (275)
Free Base

>  <CAS> (275)
23110-15-8

>  <URL> (275)
http://www.selleckchem.com/products/fumagillin.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/04192210382D

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>  <Mol_ID> (276)
277

>  <Formula> (276)
C24H20Cl2FN5O2

>  <MolWeight> (276)
500.3523032

>  <Cat> (276)
S7709

>  <Name> (276)
VX-11e

>  <Synonyms> (276)
VTX-11e, Vertex-11e

>  <Target> (276)
ERK

>  <Form> (276)
Free Base

>  <CAS> (276)
896720-20-0

>  <URL> (276)
http://www.selleckchem.com/products/vx-11e.html

$$$$
NVP-TNKS656.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (277)
278

>  <Formula> (277)
C27H34N4O5

>  <MolWeight> (277)
494.58266

>  <Cat> (277)
S7238

>  <Name> (277)
NVP-TNKS656

>  <Synonyms> (277)
N/A

>  <Target> (277)
PARP

>  <Form> (277)
Free Base

>  <CAS> (277)
1419949-20-4

>  <URL> (277)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (278)
279

>  <Formula> (278)
C21H28FN3O7

>  <MolWeight> (278)
453.4613232

>  <Cat> (278)
S8102

>  <Name> (278)
Z-VAD(OH)-FMK

>  <Synonyms> (278)
N/A

>  <Target> (278)
Caspase

>  <Form> (278)
Free Base

>  <CAS> (278)
161401-82-7

>  <URL> (278)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

$$$$
GSK2879552.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (279)
280

>  <Formula> (279)
C23H30Cl2N2O2

>  <MolWeight> (279)
437.4025

>  <Cat> (279)
S7796

>  <Name> (279)
GSK2879552 2HCl

>  <Synonyms> (279)
N/A

>  <Target> (279)
Histone Demethylase

>  <Form> (279)
Dihydrochloride

>  <CAS> (279)
1401966-69-5

>  <URL> (279)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
CC-223.cdx
csChFnd80/04192210382D

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256373-96-3

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1383716-33-3

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BTK

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Free Base

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1420477-60-6

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

$$$$
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1714146-59-4

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1527503-11-2

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M  END
>  <Mol_ID> (292)
293

>  <Formula> (292)
C23H22FN7O3

>  <MolWeight> (292)
463.4642832

>  <Cat> (292)
S8167

>  <Name> (292)
AMG 337

>  <Synonyms> (292)
N/A

>  <Target> (292)
c-Met

>  <Form> (292)
Free Base

>  <CAS> (292)
1173699-31-4

>  <URL> (292)
http://www.selleckchem.com/products/amg-337.html

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/04192210382D

 14 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (293)
294

>  <Formula> (293)
C6H15ClF2N2O3

>  <MolWeight> (293)
236.6447064

>  <Cat> (293)
S4582

>  <Name> (293)
Eflornithine hydrochloride hydrate

>  <Synonyms> (293)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (293)
Decarboxylase

>  <Form> (293)
hydrochloride hydrate

>  <CAS> (293)
96020-91-6

>  <URL> (293)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (294)
295

>  <Formula> (294)
C26H27F4N3O7

>  <MolWeight> (294)
569.5020928

>  <Cat> (294)
S7775

>  <Name> (294)
Emricasan (IDN-6556, PF-03491390)

>  <Synonyms> (294)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (294)
Caspase

>  <Form> (294)
Free Base

>  <CAS> (294)
254750-02-2

>  <URL> (294)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (295)
296

>  <Formula> (295)
C24H24FN7O

>  <MolWeight> (295)
445.4920632

>  <Cat> (295)
S8292

>  <Name> (295)
Selonsertib (GS-4997)

>  <Synonyms> (295)
N/A

>  <Target> (295)
Caspase

>  <Form> (295)
Free Base

>  <CAS> (295)
1448428-04-3

>  <URL> (295)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
SIS3.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (296)
297

>  <Formula> (296)
C28H28ClN3O3

>  <MolWeight> (296)
489.99322

>  <Cat> (296)
S7959

>  <Name> (296)
SIS3 HCl

>  <Synonyms> (296)
N/A

>  <Target> (296)
TGF-beta/Smad

>  <Form> (296)
hydrochloride

>  <CAS> (296)
521984-48-5

>  <URL> (296)
http://www.selleckchem.com/products/sis3.html

$$$$
KYA1797K.cdx
csChFnd80/04192210382D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (297)
298

>  <Formula> (297)
C17H11KN2O6S2

>  <MolWeight> (297)
442.50734

>  <Cat> (297)
S8327

>  <Name> (297)
KYA1797K

>  <Synonyms> (297)
N/A

>  <Target> (297)
Wnt/beta-catenin

>  <Form> (297)
potassium salt

>  <CAS> (297)
1956356-56-1

>  <URL> (297)
http://www.selleckchem.com/products/kya1797k.html

$$$$
BAY-61-3606.cdx
csChFnd80/04192210382D

 31 32  0  0  0  0  0  0  0  0999 V2000
   16.9421    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (298)
299

>  <Formula> (298)
C20H20Cl2N6O3

>  <MolWeight> (298)
463.3172

>  <Cat> (298)
S7006

>  <Name> (298)
BAY-61-3606

>  <Synonyms> (298)
N/A

>  <Target> (298)
Syk

>  <Form> (298)
dihydrochloride

>  <CAS> (298)
648903-57-5

>  <URL> (298)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
LOXO-101.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (299)
300

>  <Formula> (299)
C21H24F2N6O6S

>  <MolWeight> (299)
526.5136664

>  <Cat> (299)
S7960

>  <Name> (299)
LOXO-101(sulfate)

>  <Synonyms> (299)
N/A

>  <Target> (299)
Trk receptor

>  <Form> (299)
sulfate

>  <CAS> (299)
1223405-08-0

>  <URL> (299)
http://www.selleckchem.com/products/loxo-101.html

$$$$
CPI-637.cdx
csChFnd80/04192210382D

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Bcl-2

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>  <CAS> (301)
1909226-00-1

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http://www.selleckchem.com/products/bda-366.html

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untitled.cdx
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$$$$
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 34 30  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (303)
304

>  <Formula> (303)
C26H24N8O2

>  <MolWeight> (303)
480.52116

>  <Cat> (303)
S8362

>  <Name> (303)
ARRY-380 (ONT-380)

>  <Synonyms> (303)
Tucatinib

>  <Target> (303)
HER2

>  <Form> (303)
Free Base

>  <CAS> (303)
937263-43-9

>  <URL> (303)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
CA-074 methyl ester.cdx
csChFnd80/04192210382D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  6  5  1  6  0  0  0
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 25 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
>  <Mol_ID> (304)
305

>  <Formula> (304)
C19H31N3O6

>  <MolWeight> (304)
397.46594

>  <Cat> (304)
S7420

>  <Name> (304)
CA-074 methyl ester (CA-074 Me)

>  <Synonyms> (304)
Cathepsin B Inhibitor IV

>  <Target> (304)
Cysteine Protease

>  <Form> (304)
Free Base

>  <CAS> (304)
147859-80-1

>  <URL> (304)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

$$$$
Etomoxir (Na salt).cdx
csChFnd80/04192210382D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1725    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2367    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4792    2.6311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0004    3.9467    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   13.7579    3.4605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 15 18  1  1  0  0  0
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 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (305)
306

>  <Formula> (305)
C15H18ClNaO4

>  <MolWeight> (305)
320.74379

>  <Cat> (305)
S8244

>  <Name> (305)
Etomoxir (Na salt)

>  <Synonyms> (305)
N/A

>  <Target> (305)
Transferase

>  <Form> (305)
sodium salt

>  <CAS> (305)
828934-41-4

>  <URL> (305)
http://www.selleckchem.com/products/etomoxir-na-salt.html

$$$$
THZ1.cdx
csChFnd80/04192210382D

 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (306)
307

>  <Formula> (306)
C31H30Cl3N7O2

>  <MolWeight> (306)
638.9746

>  <Cat> (306)
S7549

>  <Name> (306)
THZ1 2HCl

>  <Synonyms> (306)
N/A

>  <Target> (306)
CDK

>  <Form> (306)
dihydrochloride

>  <CAS> (306)
1604810-83-4(free base)

>  <URL> (306)
http://www.selleckchem.com/products/thz1.html

$$$$
EPZ020411.cdx
csChFnd80/04192210382D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (307)
308

>  <Formula> (307)
C25H40Cl2N4O3

>  <MolWeight> (307)
515.5161

>  <Cat> (307)
S7820

>  <Name> (307)
EPZ020411 2HCl

>  <Synonyms> (307)
N/A

>  <Target> (307)
Histone Methyltransferase

>  <Form> (307)
dihydrochloride

>  <CAS> (307)
1700663-41-7(free base)

>  <URL> (307)
http://www.selleckchem.com/products/epz020411.html

$$$$
1400W.cdx
csChFnd80/04192210382D

 15 13  0  0  0  0  0  0  0  0999 V2000
   16.2505    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2505    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6753    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6753    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4629    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8878    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1002    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0380    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8256    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6132    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4007    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6132    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   20.5611    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.5611    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (308)
309

>  <Formula> (308)
C10H17Cl2N3

>  <MolWeight> (308)
250.16808

>  <Cat> (308)
S8337

>  <Name> (308)
1400W 2HCl

>  <Synonyms> (308)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (308)
Others

>  <Form> (308)
dihydrochloride

>  <CAS> (308)
214358-33-5

>  <URL> (308)
http://www.selleckchem.com/products/1400w.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/04192210382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9995   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 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
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (309)
310

>  <Formula> (309)
C21H25N7O

>  <MolWeight> (309)
391.4695

>  <Cat> (309)
S8456

>  <Name> (309)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (309)
N/A

>  <Target> (309)
PI3K

>  <Form> (309)
Free Base

>  <CAS> (309)
1383716-46-8

>  <URL> (309)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/04192210382D

 26 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   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
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    3.2101    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
   12.1244    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6356    1.3566    0.0000 Cl  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
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
  1 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
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 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (310)
311

>  <Formula> (310)
C14H17Cl2N5O4S

>  <MolWeight> (310)
422.28688

>  <Cat> (310)
S8457

>  <Name> (310)
UK-371804 HCl

>  <Synonyms> (310)
UK-371804 HCl

>  <Target> (310)
Serine Protease

>  <Form> (310)
hydrochloride

>  <CAS> (310)
256476-36-5

>  <URL> (310)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
Thiomyristoyl.cdx
csChFnd80/04192210382D

 41 42  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   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
    6.0622    2.1000    0.0000 O   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
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   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
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
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 39 40  1  0  0  0  0
 27 41  2  0  0  0  0
M  END
>  <Mol_ID> (311)
312

>  <Formula> (311)
C34H51N3O3S

>  <MolWeight> (311)
581.85204

>  <Cat> (311)
S8245

>  <Name> (311)
Thiomyristoyl

>  <Synonyms> (311)
TM

>  <Target> (311)
Sirtuin

>  <Form> (311)
Free Base

>  <CAS> (311)
1429749-41-6

>  <URL> (311)
http://www.selleckchem.com/products/thiomyristoyl.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/04192210382D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (312)
313

>  <Formula> (312)
C30H42N8O3

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562.70628

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S8412

>  <Name> (312)
ASP8273 (Naquotinib)

>  <Synonyms> (312)
N/A

>  <Target> (312)
EGFR

>  <Form> (312)
Free Base

>  <CAS> (312)
1448232-80-1

>  <URL> (312)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/04192210382D

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>  <Mol_ID> (313)
314

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C23H28N8O

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S7992

>  <Name> (313)
LDC4297 (LDC044297)

>  <Synonyms> (313)
N/A

>  <Target> (313)
CDK

>  <Form> (313)
Free Base

>  <CAS> (313)
1453834-21-3

>  <URL> (313)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/04192210382D

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>  <Mol_ID> (314)
315

>  <Formula> (314)
C25H23ClN6O3

>  <MolWeight> (314)
490.94152

>  <Cat> (314)
S8166

>  <Name> (314)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (314)
N/A

>  <Target> (314)
BTK

>  <Form> (314)
hydrochloride

>  <CAS> (314)
1439901-97-9

>  <URL> (314)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/04192210382D

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EGFR

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Free Base

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1508250-71-2

>  <URL> (315)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

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FGFR

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Free Base

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192705-79-6

>  <URL> (316)
http://www.selleckchem.com/products/pd-166866.html

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FGFR

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Free Base

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1707289-21-1

>  <URL> (317)
http://www.selleckchem.com/products/blu-554.html

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1262417-51-5

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trifluoroacetate

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1043444-18-3

>  <URL> (321)
http://www.selleckchem.com/products/cl-amidine.html

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free base

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1629268-00-3

>  <URL> (322)
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1982372-88-2

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1226781-44-7

>  <URL> (325)
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866028-26-4

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1693758-51-8

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1693758-51-8

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free base

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1426138-42-2

>  <URL> (329)
http://www.selleckchem.com/products/fx1.html

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hSGLT2

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hydrate 

>  <CAS> (330)
1201913-82-7

>  <URL> (330)
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>  <Synonyms> (331)
N/A

>  <Target> (331)
RIP3K

>  <Form> (331)
Free base

>  <CAS> (331)
1346546-69-7

>  <URL> (331)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
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csChFnd80/04192210382D

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333

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N/A

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PI3K¦Á 

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>  <CAS> (332)
1268454-23-4

>  <URL> (332)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

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PRN1371.cdx
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>  <Form> (333)
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>  <CAS> (333)
1802929-43-6

>  <URL> (333)
http://www.selleckchem.com/products/prn1371.html

$$$$
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NCT-503

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PHGDH

>  <Form> (334)
free base

>  <CAS> (334)
1916571-90-8

>  <URL> (334)
http://www.selleckchem.com/products/nct-503.html

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csChFnd80/04192210382D

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Ipragliflozin (ASP1941)

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N/A

>  <Target> (335)
SGLT2 

>  <Form> (335)
free base

>  <CAS> (335)
761423-87-4

>  <URL> (335)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
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Chk2 Inhibitor II (BML-277)

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N/A

>  <Target> (336)
Chk2

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free base

>  <CAS> (336)
516480-79-8

>  <URL> (336)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
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ERK1,ERK2

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1951483-29-6

>  <URL> (337)
http://www.selleckchem.com/products/ly3214996.html

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>  <Formula> (338)
C12H8ClI

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>  <Cat> (338)
S8639

>  <Name> (338)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (338)
N/A

>  <Target> (338)
NADPH oxidase

>  <Form> (338)
chloride

>  <CAS> (338)
4673-26-1

>  <URL> (338)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
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340

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C24H25FN6O2

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S8644

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GNF-6231

>  <Synonyms> (339)
N/A

>  <Target> (339)
Porcupine

>  <Form> (339)
free base

>  <CAS> (339)
1243245-18-2

>  <URL> (339)
http://www.selleckchem.com/products/gnf-6231.html

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>  <Formula> (340)
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ACY-738

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N/A

>  <Target> (340)
HDAC6

>  <Form> (340)
free base

>  <CAS> (340)
1375465-91-0

>  <URL> (340)
http://www.selleckchem.com/products/acy-738.html

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PF-06840003

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IDO-1

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free base

>  <CAS> (341)
198474-05-4

>  <URL> (341)
http://www.selleckchem.com/products/pf-06840003.html

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free base

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1702259-66-2

>  <URL> (342)
http://www.selleckchem.com/products/h3b-6527.html

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>  <Mol_ID> (343)
344

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N/A

>  <Target> (343)
PRMT5

>  <Form> (343)
free base

>  <CAS> (343)
2040291-27-6

>  <URL> (343)
http://www.selleckchem.com/products/lly-283.html

$$$$
PF-06651600.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (344)
345

>  <Formula> (344)
C15H19N5O

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PF-06651600

>  <Synonyms> (344)
N/A

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JAK3 

>  <Form> (344)
free base

>  <CAS> (344)
1792180-81-4

>  <URL> (344)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
UNC0642.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (345)
346

>  <Formula> (345)
C29H44F2N6O2

>  <MolWeight> (345)
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>  <Name> (345)
UNC0642

>  <Synonyms> (345)
N/A

>  <Target> (345)
G9a,GLP

>  <Form> (345)
free base

>  <CAS> (345)
1481677-78-4

>  <URL> (345)
http://www.selleckchem.com/products/unc0642.html

$$$$
SHP099.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (346)
347

>  <Formula> (346)
C16H20Cl3N5

>  <MolWeight> (346)
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>  <Cat> (346)
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>  <Name> (346)
SHP099 hydrochloride

>  <Synonyms> (346)
N/A

>  <Target> (346)
phosphatase

>  <Form> (346)
hydrochloride 

>  <CAS> (346)
1801747-42-1(free base)

>  <URL> (346)
http://selleckchem.com/products/shp099-dihydrochloride.html

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (347)
348

>  <Formula> (347)
C23H38N6O6S

>  <MolWeight> (347)
526.64942

>  <Cat> (347)
S5074

>  <Name> (347)
Argatroban Monohydrate

>  <Synonyms> (347)
Argatroban hydrate, Argipidine

>  <Target> (347)
Thrombin

>  <CAS> (347)
141396-28-3

>  <URL> (347)
http://selleckchem.com/products/argatroban-monohydrate.html

$$$$
S5079 Sitagliptin.cdx
csChFnd80/04192210382D

 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
   12.1394    3.0969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  2  1  0  0  0  0
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 22  6  1  0  0  0  0
 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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 14 11  2  0  0  0  0
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 13 15  2  0  0  0  0
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 27 16  1  0  0  0  0
 19 21  1  0  0  0  0
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M  END
>  <Mol_ID> (348)
349

>  <Formula> (348)
C16H15F6N5O

>  <MolWeight> (348)
407.3136192

>  <Cat> (348)
S5079

>  <Name> (348)
Sitagliptin

>  <Synonyms> (348)
MK-0431

>  <Target> (348)
DPP-4

>  <Form> (348)
free base

>  <CAS> (348)
486460-32-6

>  <URL> (348)
http://selleckchem.com/products/sitagliptin.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/04192210382D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9401    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255    2.3595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3318    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 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
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M  END
>  <Mol_ID> (349)
350

>  <Formula> (349)
C18H13BrN2O4S2

>  <MolWeight> (349)
465.34082

>  <Cat> (349)
S8652

>  <Name> (349)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (349)
N/A

>  <Target> (349)
CDK

>  <CAS> (349)
432001-69-9

>  <URL> (349)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/04192210382D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 30 12  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (350)
351

>  <Formula> (350)
C23H18FN5O2

>  <MolWeight> (350)
415.4197232

>  <Cat> (350)
S8672

>  <Name> (350)
Tenalisib (RP6530)

>  <Synonyms> (350)
N/A

>  <Target> (350)
PI3K

>  <Form> (350)
free base

>  <CAS> (350)
1639417-53-0

>  <URL> (350)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/04192210382D

 33 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (351)
352

>  <Formula> (351)
C20H20FKN6O5

>  <MolWeight> (351)
482.5067032

>  <Cat> (351)
S5245

>  <Name> (351)
Raltegravir potassium

>  <Synonyms> (351)
N/A

>  <Target> (351)
Integrase,HIV Protease

>  <Form> (351)
potassium salt

>  <CAS> (351)
871038-72-1

>  <URL> (351)
http://selleckchem.com/products/raltegravir-potassium.html

$$$$
Cu-CPT22.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (352)
353

>  <Formula> (352)
C19H22O7

>  <MolWeight> (352)
362.37378

>  <Cat> (352)
S8677

>  <Name> (352)
Cu-CPT22

>  <Synonyms> (352)
N/A

>  <Target> (352)
TLR

>  <Form> (352)
free base

>  <CAS> (352)
1416324-85-0

>  <URL> (352)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/04192210382D

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>  <Mol_ID> (353)
354

>  <Formula> (353)
C26H27N3O5S

>  <MolWeight> (353)
493.57468

>  <Cat> (353)
S5402

>  <Synonyms> (353)
N/A

>  <Target> (353)
HCV Protease

>  <Form> (353)
free base

>  <CAS> (353)
1132935-63-7

>  <URL> (353)
http://selleckchem.com/products/dasabuvir-abt-333.html

$$$$
AZD1390.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (354)
355

>  <Formula> (354)
C27H32FN5O2

>  <MolWeight> (354)
477.5736832

>  <Cat> (354)
S8680

>  <Name> (354)
AZD1390

>  <Synonyms> (354)
N/A

>  <Target> (354)
ATM/ATR

>  <Form> (354)
free base

>  <CAS> (354)
2089288-03-7

>  <URL> (354)
http://selleckchem.com/products/azd1390.html

$$$$
GSK'963.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (355)
356

>  <Formula> (355)
C14H18N2O

>  <MolWeight> (355)
230.30552

>  <Cat> (355)
S8642

>  <Name> (355)
GSK'963

>  <Synonyms> (355)
N/A

>  <Target> (355)
NF-¦ÊB,TNF-alpha

>  <Form> (355)
free base

>  <CAS> (355)
2049868-46-2

>  <URL> (355)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (356)
357

>  <Formula> (356)
C6H4K2NO8V

>  <MolWeight> (356)
347.23596

>  <Cat> (356)
S8651

>  <Name> (356)
bpV (HOpic)

>  <Synonyms> (356)
Bisperoxovanadium(HOpic)

>  <Target> (356)
PTEN

>  <Form> (356)
potassium 

>  <CAS> (356)
722494-26-0

>  <URL> (356)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (357)
358

>  <Formula> (357)
C24H24F3N5O5S3

>  <MolWeight> (357)
615.6680696

>  <Cat> (357)
S5069

>  <Name> (357)
Dabrafenib Mesylate

>  <Synonyms> (357)
GSK2118436 Mesylate

>  <Target> (357)
Raf

>  <Form> (357)
mesylate

>  <CAS> (357)
1195768-06-9

>  <URL> (357)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/04192210382D

 34 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (358)
359

>  <Formula> (358)
C24H35ClO9

>  <MolWeight> (358)
502.9823

>  <Cat> (358)
S5566

>  <Name> (358)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (358)
N/A

>  <Target> (358)
SGLT

>  <Form> (358)
monohydrate

>  <CAS> (358)
960404-48-2

>  <URL> (358)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/04192210382D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (359)
360

>  <Formula> (359)
C22H25ClO7

>  <MolWeight> (359)
436.8827

>  <Cat> (359)
S5413

>  <Name> (359)
Ertugliflozin

>  <Synonyms> (359)
PF-04971729?

>  <Target> (359)
SGLT2

>  <Form> (359)
free base

>  <CAS> (359)
1210344-57-2

>  <URL> (359)
http://selleckchem.com/products/.html

$$$$
BMS-986205.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (360)
361

>  <Formula> (360)
C24H24ClFN2O

>  <MolWeight> (360)
410.9115632

>  <Cat> (360)
S8629

>  <Synonyms> (360)
N/A

>  <Target> (360)
IDO1

>  <Form> (360)
free base

>  <CAS> (360)
1923833-60-6

>  <URL> (360)
http://selleckchem.com/products/.html

$$$$
S5623 Bedaquiline.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (361)
362

>  <Formula> (361)
C32H31BrN2O2

>  <MolWeight> (361)
555.50474

>  <Cat> (361)
S5623

>  <Name> (361)
Bedaquiline

>  <Synonyms> (361)
TMC207; R207910

>  <Target> (361)
tuberculosis

>  <Form> (361)
free base

>  <CAS> (361)
843663-66-1

>  <URL> (361)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (362)
363

>  <Formula> (362)
C30H34N8O3

>  <MolWeight> (362)
554.64276

>  <Cat> (362)
S8724

>  <Name> (362)
Lazertinib (YH25448,GNS-1480)

>  <Form> (362)
free base

>  <CAS> (362)
1903008-80-9

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (363)
364

>  <Formula> (363)
C8H6N2O

>  <MolWeight> (363)
146.14604

>  <Cat> (363)
S9360

>  <Name> (363)
4-Hydroxyquinazoline

>  <Form> (363)
free base

>  <CAS> (363)
491-36-1

$$$$

csChFnd80/04192210382D

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365

>  <Formula> (364)
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>  <MolWeight> (364)
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>  <Synonyms> (364)
N/A

>  <Target> (364)
PDE

>  <Form> (364)
Free Base

>  <CAS> (364)
433695-36-4

>  <URL> (364)
http://www.selleckchem.com/products/brl-50481.html

$$$$

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366

>  <Formula> (365)
C48H52F2O11S2

>  <MolWeight> (365)
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>  <Cat> (365)
S5901

>  <Name> (365)
Canagliflozin hemihydrate

>  <Synonyms> (365)
N/A

>  <Target> (365)
SGLT

>  <Form> (365)
hemihydrate

>  <CAS> (365)
928672-86-0

>  <URL> (365)
http://www.selleckchem.com/products/canagliflozin-hemihydrate.html

$$$$

csChFnd80/04192210382D

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M  END
>  <Mol_ID> (366)
367

>  <Formula> (366)
C16H15N3O3

>  <MolWeight> (366)
297.3086

>  <Cat> (366)
S5903

>  <Name> (366)
JANEX-1

>  <Synonyms> (366)
WHI-P131

>  <Target> (366)
JAK

>  <Form> (366)
Free Base

>  <CAS> (366)
202475-60-3

>  <URL> (366)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/04192210382D

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368

>  <Formula> (367)
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>  <MolWeight> (367)
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>  <Cat> (367)
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>  <Name> (367)
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>  <Synonyms> (367)
N/A

>  <Target> (367)
Epigenetic Reader Do

>  <Form> (367)
Free Base

>  <CAS> (367)
901245-65-6

>  <URL> (367)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

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   13.3368    4.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1789    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
  9 10  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (368)
369

>  <Formula> (368)
C17H27Cl2NO

>  <MolWeight> (368)
332.30838

>  <Cat> (368)
S5926

>  <Name> (368)
Pitolisant hydrochloride

>  <Synonyms> (368)
Tiprolisant hydrochloride, BF-2649 HCl

>  <Target> (368)
Histamine Receptor

>  <Form> (368)
hydrochloride

>  <CAS> (368)
903576-44-3

>  <URL> (368)
http://www.selleckchem.com/products/pitolisant-hydrochloride.html

$$$$

csChFnd80/04192210382D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.9089    1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3426    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6051    1.7919    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  8 17  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (369)
370

>  <Formula> (369)
C13H15N3O2S

>  <MolWeight> (369)
277.3421

>  <Cat> (369)
S5933

>  <Name> (369)
K 858

>  <Synonyms> (369)
N/A

>  <Target> (369)
Kinesin

>  <Form> (369)
Free Base

>  <CAS> (369)
72926-24-0

>  <URL> (369)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/04192210382D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230    3.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925    4.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791    5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6142    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9160    3.4986    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7730    3.4963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9160    4.9035    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
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  8 10  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
 17 22  1  0  0  0  0
 19 23  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
 24 29  2  0  0  0  0
 26 30  1  0  0  0  0
 20 24  1  0  0  0  0
 16 17  1  0  0  0  0
  7 16  1  0  0  0  0
  5  6  1  0  0  0  0
  2  5  1  0  0  0  0
 20 31  1  6  0  0  0
M  END
>  <Mol_ID> (370)
371

>  <Formula> (370)
C25H32N2O4

>  <MolWeight> (370)
424.53258

>  <Cat> (370)
S5935

>  <Name> (370)
Alvimopan

>  <Synonyms> (370)
LY 246736, ADL 8-2698

>  <Target> (370)
Opioid Receptor

>  <Form> (370)
Free Base

>  <CAS> (370)
156053-89-3

>  <URL> (370)
http://www.selleckchem.com/products/alvimopan.html

$$$$

csChFnd80/04192210382D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 N   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
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 17 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 17  1  0  0  0  0
 11 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 11  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (371)
372

>  <Formula> (371)
C24H28N4O3

>  <MolWeight> (371)
420.50412

>  <Cat> (371)
S8556

>  <Name> (371)
AZ31

>  <Synonyms> (371)
N/A

>  <Target> (371)
ATM/ATR

>  <Form> (371)
Free Base

>  <CAS> (371)
2088113-98-6

>  <URL> (371)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/04192210382D

 22 26  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (372)
373

>  <Formula> (372)
C16H15FN4O

>  <MolWeight> (372)
298.3149032

>  <Cat> (372)
S8592

>  <Name> (372)
Pamiparib (BGB-290)

>  <Synonyms> (372)
N/A

>  <Target> (372)
PARP

>  <Form> (372)
Free Base

>  <CAS> (372)
1446261-44-4

>  <URL> (372)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/04192210382D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 18  1  0  0  0  0
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M  END
>  <Mol_ID> (373)
374

>  <Formula> (373)
C13H12ClN3O2

>  <MolWeight> (373)
277.70628

>  <Cat> (373)
S8641

>  <Name> (373)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (373)
Necrostatin-1 stable

>  <Target> (373)
TNF-alpha

>  <Form> (373)
Free Base

>  <CAS> (373)
852391-15-2

>  <URL> (373)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/04192210382D

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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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  2  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
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M  END
>  <Mol_ID> (374)
375

>  <Formula> (374)
C18H18FN5O2S

>  <MolWeight> (374)
387.4312232

>  <Cat> (374)
S8727

>  <Name> (374)
Atuveciclib (BAY-1143572)

>  <Synonyms> (374)
N/A

>  <Target> (374)
CDK

>  <Form> (374)
Free Base

>  <CAS> (374)
1414943-88-6

>  <URL> (374)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/04192210382D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
376

>  <Formula> (375)
C26H26FN7O2

>  <MolWeight> (375)
487.5287432

>  <Cat> (375)
S8741

>  <Name> (375)
Avitinib (AC0010)

>  <Synonyms> (375)
N/A

>  <Target> (375)
EGFR

>  <Form> (375)
Free Base

>  <CAS> (375)
1557267-42-1

>  <URL> (375)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/04192210382D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (376)
377

>  <Formula> (376)
C25H25F3N4O4

>  <MolWeight> (376)
502.4856096

>  <Cat> (376)
S8745

>  <Name> (376)
LXH254

>  <Synonyms> (376)
N/A

>  <Target> (376)
Raf

>  <Form> (376)
Free Base

>  <CAS> (376)
1800398-38-2

>  <URL> (376)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/04192210382D

 53 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (377)
378

>  <Formula> (377)
C43H42N4O6

>  <MolWeight> (377)
710.81678

>  <Cat> (377)
S8759

>  <Name> (377)
S55746 (S 055746,BCL201)

>  <Synonyms> (377)
N/A

>  <Target> (377)
Bcl-2

>  <Form> (377)
Free Base

>  <CAS> (377)
1448584-12-0

>  <URL> (377)
http://www.selleckchem.com/products/s55746-s055746-bcl201.html

$$$$
S5701 Alvimopan dihydrate.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (378)
379

>  <Formula> (378)
C25H36N2O6

>  <MolWeight> (378)
460.56314

>  <Cat> (378)
S5701

>  <Name> (378)
Alvimopan dihydrate

>  <Target> (378)
Others

>  <Form> (378)
free base

>  <CAS> (378)
170098-38-1 

>  <URL> (378)
http://selleckchem.com/products/.html

$$$$
S9500 Valbenazine tosylate.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (379)
380

>  <Formula> (379)
C38H54N2O10S2

>  <MolWeight> (379)
762.97276

>  <Cat> (379)
S9500

>  <Name> (379)
Valbenazine tosylate

>  <Form> (379)
free base

>  <CAS> (379)
1639208-54-0

$$$$
GI254023X.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (380)
381

>  <Formula> (380)
C21H33N3O4

>  <MolWeight> (380)
391.50442

>  <Cat> (380)
S8660

>  <Name> (380)
GI254023X

>  <Synonyms> (380)
GI 4023

>  <Target> (380)
Immunology & Inflammation related

>  <Form> (380)
free base

>  <CAS> (380)
260264-93-5

>  <URL> (380)
http://selleckchem.com/products/gi254023x.html

$$$$
S5476 Rolapitant.cdx
csChFnd80/04192210382D

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>  <Mol_ID> (381)
382

>  <Formula> (381)
C25H26F6N2O2

>  <MolWeight> (381)
500.4765592

>  <Cat> (381)
S5476

>  <Name> (381)
Rolapitant

>  <Target> (381)
NK1-receptor

>  <CAS> (381)
552292-08-7

>  <URL> (381)
https://www.selleckchem.com/products/rolapitant.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (382)
383

>  <Formula> (382)
C21H19N3O5

>  <MolWeight> (382)
393.39266

>  <Cat> (382)
S5667

>  <Name> (382)
Fruquintinib

>  <Target> (382)
VEGFRs

>  <CAS> (382)
1194506-26-7

>  <URL> (382)
https://www.selleckchem.com/products/fruquintinib.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/04192210382D

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M  END
>  <Mol_ID> (383)
384

>  <Formula> (383)
C20H21N3O2

>  <MolWeight> (383)
335.39964

>  <Cat> (383)
S8049

>  <Name> (383)
Tubastatin A

>  <Target> (383)
others

>  <CAS> (383)
1252003-15-8

>  <URL> (383)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/04192210382D

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>  <Formula> (384)
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>  <MolWeight> (384)
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>  <Target> (384)
EGFR

>  <Form> (384)
mesylate

>  <CAS> (384)
1421373-66-1

>  <URL> (384)
http://www.selleckchem.com/products/osimertinib-mesylate.html

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386

>  <Formula> (385)
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N/A

>  <Target> (385)
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>  <Form> (385)
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315705-75-0

>  <URL> (385)
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>  <Formula> (386)
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MAO

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136236-51-6

>  <URL> (386)
http://www.selleckchem.com/products/rasagiline.html

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csChFnd80/04192210382D

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388

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C21H16FN7O

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PI3K

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870281-34-8

>  <URL> (387)
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>  <Form> (388)
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>  <CAS> (388)
475085-57-5

>  <URL> (388)
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M  END
>  <Mol_ID> (389)
390

>  <Formula> (389)
C18H13F2N3O3S

>  <MolWeight> (389)
389.3759264

>  <Cat> (389)
S8776

>  <Name> (389)
WM-1119

>  <Synonyms> (389)
N/A

>  <Target> (389)
Histone Acetyltransf

>  <Form> (389)
Free Base

>  <CAS> (389)
2055397-28-7

>  <URL> (389)
http://www.selleckchem.com/products/wm-1119.html

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csChFnd80/04192210382D

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M  END
>  <Mol_ID> (390)
391

>  <Formula> (390)
C25H27N5O2

>  <MolWeight> (390)
429.51418

>  <Cat> (390)
S8777

>  <Name> (390)
Evobrutinib

>  <Synonyms> (390)
M-2951, MSC-2364447C

>  <Target> (390)
BTK

>  <Form> (390)
Free Base

>  <CAS> (390)
1415823-73-2

>  <URL> (390)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/04192210382D

 33 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (391)
392

>  <Formula> (391)
C22H21F3N6O2

>  <MolWeight> (391)
458.4363496

>  <Cat> (391)
S8801

>  <Name> (391)
CC-90003

>  <Synonyms> (391)
N/A

>  <Target> (391)
ERK

>  <Form> (391)
Free Base

>  <CAS> (391)
1621999-82-3

>  <URL> (391)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/04192210382D

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 13  8  2  0  0  0  0
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>  <Mol_ID> (392)
393

>  <Formula> (392)
C17H13ClN2O3

>  <MolWeight> (392)
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>  <Cat> (392)
S8813

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LIT-927

>  <Synonyms> (392)
N/A

>  <Target> (392)
CXCR

>  <Form> (392)
Free Base

>  <CAS> (392)
2172879-52-4

>  <URL> (392)
http://www.selleckchem.com/products/lit-927.html

$$$$

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>  <Mol_ID> (393)
394

>  <Formula> (393)
C25H23FN8O2S2

>  <MolWeight> (393)
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>  <Cat> (393)
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>  <Name> (393)
SAR125844

>  <Synonyms> (393)
N/A

>  <Target> (393)
c-Met

>  <Form> (393)
free base

>  <CAS> (393)
1116743-46-4

>  <URL> (393)
http://www.selleck.cn/products/sar125844.html

$$$$

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>  <Mol_ID> (394)
395

>  <Formula> (394)
C38H37ClN8O7S

>  <MolWeight> (394)
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>  <Cat> (394)
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>  <Name> (394)
dBET1

>  <Synonyms> (394)
N/A

>  <Target> (394)
Epigenetic Reader Do

>  <Form> (394)
free base

>  <CAS> (394)
1799711-21-9

>  <URL> (394)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/04192210382D

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M  END
>  <Mol_ID> (395)
396

>  <Formula> (395)
C27H27N7O2S

>  <MolWeight> (395)
513.61398

>  <Cat> (395)
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>  <Name> (395)
CX-5461

>  <Synonyms> (395)
N/A

>  <Target> (395)
DNA/RNA Synthesis

>  <Form> (395)
Free Base

>  <CAS> (395)
1138549-36-6

>  <URL> (395)
http://www.selleck.cn/products/cx-5461.html

$$$$

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 16 17  1  0  0  0  0
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 16 21  2  0  0  0  0
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 23 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
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 39 40  1  0  0  0  0
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 19 23  1  0  0  0  0
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M  END
>  <Mol_ID> (396)
397

>  <Formula> (396)
C34H36FN5O2

>  <MolWeight> (396)
565.6803432

>  <Cat> (396)
S6416

>  <Name> (396)
JNJ 31020028

>  <Synonyms> (396)
N/A

>  <Target> (396)
Others

>  <Form> (396)
Free Base

>  <CAS> (396)
1094873-14-9

>  <URL> (396)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/04192210382D

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   14.0454    4.2000    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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 21 28  1  0  0  0  0
 13 29  2  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 13  1  0  0  0  0
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 39 34  1  0  0  0  0
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M  END
>  <Mol_ID> (397)
398

>  <Formula> (397)
C31H39N7O2

>  <MolWeight> (397)
541.68706

>  <Cat> (397)
S7164

>  <Name> (397)
GSK343

>  <Synonyms> (397)
N/A

>  <Target> (397)
Histone Methyltransf

>  <Form> (397)
Free Base

>  <CAS> (397)
1346704-33-3

>  <URL> (397)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/04192210382D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 20 15  1  0  0  0  0
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M  END
>  <Mol_ID> (398)
399

>  <Formula> (398)
C19H18N4O3

>  <MolWeight> (398)
350.37122

>  <Cat> (398)
S8684

>  <Name> (398)
Selective JAK3 inhibitor 1

>  <Synonyms> (398)
N/A

>  <Target> (398)
JAK

>  <Form> (398)
Free Base

>  <CAS> (398)
1443235-95-7

>  <URL> (398)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/04192210382D

 32 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (399)
400

>  <Formula> (399)
C23H20FN7O

>  <MolWeight> (399)
429.4496032

>  <Cat> (399)
S8693

>  <Name> (399)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (399)
N/A

>  <Target> (399)
PI3K

>  <Form> (399)
Free Base

>  <CAS> (399)
2088525-31-7

>  <URL> (399)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/04192210382D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    4.9045    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (400)
401

>  <Formula> (400)
C27H29N5O3

>  <MolWeight> (400)
471.55086

>  <Cat> (400)
S8791

>  <Name> (400)
Zanubrutinib (BGB-3111)

>  <Synonyms> (400)
N/A

>  <Target> (400)
BTK

>  <Form> (400)
Free Base

>  <CAS> (400)
1691249-45-2

>  <URL> (400)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

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M  END
>  <Mol_ID> (401)
402

>  <Formula> (401)
C29H24F3N5O

>  <MolWeight> (401)
515.5289696

>  <Cat> (401)
S6538

>  <Name> (401)
B-Raf IN 1

>  <Synonyms> (401)
N/A

>  <Target> (401)
Raf

>  <Form> (401)
free base

>  <CAS> (401)
950736-05-7

>  <URL> (401)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/04192210382D

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M  END
>  <Mol_ID> (402)
403

>  <Formula> (402)
C28H28F3N5O4

>  <MolWeight> (402)
555.5482296

>  <Cat> (402)
S6545

>  <Name> (402)
BI-4464

>  <Synonyms> (402)
N/A

>  <Target> (402)
FAK

>  <Form> (402)
free base

>  <CAS> (402)
1227948-02-8

>  <URL> (402)
http://www.selleck.cn/products/bi-4464.html

$$$$

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M  END
>  <Mol_ID> (403)
404

>  <Formula> (403)
C18H23ClN4O

>  <MolWeight> (403)
346.85442

>  <Cat> (403)
S8438

>  <Name> (403)
T-3775440 HCl

>  <Synonyms> (403)
N/A

>  <Target> (403)
Histone Demethylase

>  <Form> (403)
HCl

>  <CAS> (403)
1422535-52-1

>  <URL> (403)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/04192210382D

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405

>  <Formula> (404)
C21H17N9O2S

>  <MolWeight> (404)
459.48378

>  <Cat> (404)
S8676

>  <Name> (404)
Glumetinib

>  <Synonyms> (404)
N/A

>  <Target> (404)
c-Met

>  <Form> (404)
free base

>  <CAS> (404)
1642581-63-2

>  <URL> (404)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/04192210382D

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M  END
>  <Mol_ID> (405)
406

>  <Formula> (405)
C31H34N4O2

>  <MolWeight> (405)
494.62726

>  <Cat> (405)
S8746

>  <Name> (405)
H3B-5942

>  <Synonyms> (405)
N/A

>  <Target> (405)
Estrogen/progestogen

>  <Form> (405)
free base

>  <CAS> (405)
2052128-15-9

>  <URL> (405)
http://www.selleck.cn/products/h3b-5942.html

$$$$

csChFnd80/04192210382D

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M  END
>  <Mol_ID> (406)
407

>  <Formula> (406)
C20H12F2N6

>  <MolWeight> (406)
374.3462864

>  <Cat> (406)
S8854

>  <Name> (406)
JNJ-38877618(OMO-1)

>  <Synonyms> (406)
N/A

>  <Target> (406)
c-Met

>  <Form> (406)
free base

>  <CAS> (406)
943540-74-7

>  <URL> (406)
http://www.selleck.cn/products/jnj-38877618.html

$$$$

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2361659-62-1

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Free Base

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288628-05-7

>  <URL> (409)
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N/A

>  <Target> (416)
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Free Base

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1945950-21-9

>  <URL> (416)
http://www.selleck.cn/products/pdd00017273.html

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418

>  <Formula> (417)
C22H27N5O2

>  <MolWeight> (417)
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S6642

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Branaplam (LMI070)

>  <Synonyms> (417)
N/A

>  <Target> (417)
Others

>  <Form> (417)
Free Base

>  <CAS> (417)
1562338-42-4

>  <URL> (417)
http://www.selleck.cn/products/branaplam-lmi070.html

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419

>  <Formula> (418)
C10H7IN2

>  <MolWeight> (418)
282.08045

>  <Cat> (418)
S2643

>  <Name> (418)
4-IPP

>  <Synonyms> (418)
4-Iodo-6-phenylpyrimidine

>  <Target> (418)
Immunology & Inflammation related

>  <Form> (418)
Free Base

>  <CAS> (418)
41270-96-6

>  <URL> (418)
http://www.selleck.cn/products/4-ipp.html

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csChFnd80/04192210382D

 16 17  0  0  0  0  0  0  0  0999 V2000
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420

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C12H11N3O

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213.23524

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S2645

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SIB 1757

>  <Synonyms> (419)
N/A

>  <Target> (419)
GluR

>  <Form> (419)
Free Base

>  <CAS> (419)
31993-01-8

>  <URL> (419)
http://www.selleck.cn/products/sib-1757.html

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>  <Formula> (420)
C18H16Cl2N4O2

>  <MolWeight> (420)
391.25124

>  <Cat> (420)
S8944

>  <Name> (420)
G150

>  <Synonyms> (420)
N/A

>  <Target> (420)
Others

>  <Form> (420)
Free Base

>  <CAS> (420)
2369751-30-2

>  <URL> (420)
http://www.selleck.cn/products/g150.html

$$$$

csChFnd80/04192210382D

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422

>  <Formula> (421)
C15H11ClF3NO

>  <MolWeight> (421)
313.7021496

>  <Cat> (421)
S8951

>  <Name> (421)
TED-347

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N/A

>  <Target> (421)
Hippo pathway

>  <Form> (421)
Free Base

>  <CAS> (421)
2378626-29-8

>  <URL> (421)
http://www.selleckchem.com/products/ted-347.html

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csChFnd80/04192210382D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  5 18  1  0  0  0  0
M  END
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423

>  <Formula> (422)
C17H12ClF3N2O

>  <MolWeight> (422)
352.7381896

>  <Cat> (422)
S6686

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>  <Synonyms> (422)
N/A

>  <Target> (422)
COX

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Free Base

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188817-13-2

>  <URL> (422)
http://www.selleckchem.com/products/sc-560.html

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csChFnd80/04192210382D

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M  END
>  <Mol_ID> (423)
424

>  <Formula> (423)
C11H15N3O2S

>  <MolWeight> (423)
253.3207

>  <Cat> (423)
S0018

>  <Name> (423)
Verdiperstat

>  <Target> (423)
Peroxidases

>  <Form> (423)
free base

>  <CAS> (423)
890655-80-8

>  <URL> (423)
http://www.selleckchem.com/products/verdiperstat.html

$$$$

csChFnd80/04192210382D

 32 34  0  0  0  0  0  0  0  0999 V2000
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425

>  <Formula> (424)
C22H22F3N3O4

>  <MolWeight> (424)
449.4229896

>  <Cat> (424)
S0709

>  <Name> (424)
Tubastatin A TFA

>  <Target> (424)
HDAC

>  <Form> (424)
trifluoroacetate

>  <CAS> (424)
1239262-52-2

>  <URL> (424)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

csChFnd80/04192210382D

 32 36  0  0  0  0  0  0  0  0999 V2000
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426

>  <Formula> (425)
C25H27N5O2

>  <MolWeight> (425)
429.51418

>  <Cat> (425)
S8574

>  <Name> (425)
BI 894999

>  <Target> (425)
Epigenetic Reader Do

>  <Form> (425)
free base

>  <CAS> (425)
1660117-38-3

>  <URL> (425)
http://www.selleckchem.com/products/bi894999.html

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  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
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (426)
427

>  <Formula> (426)
C26H25N3O3

>  <MolWeight> (426)
427.495

>  <Cat> (426)
S9600

>  <Name> (426)
Orelabrutinib

>  <Target> (426)
BTK

>  <Form> (426)
free base

>  <CAS> (426)
1655504-04-3

>  <URL> (426)
http://www.selleckchem.com/products/orelabrutinib.html

$$$$

csChFnd80/04192210382D

 28 32  0  0  0  0  0  0  0  0999 V2000
    3.7978    8.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981    6.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0107    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2227    6.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2220    8.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0101    8.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5479    6.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3770    7.3566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5547    8.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858    5.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3677    6.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9769    4.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0336    3.8473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4628    2.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8341    2.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7729    3.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3413    4.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1391    2.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5694    1.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9340    1.3316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8778    2.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4501    3.7028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0750    3.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3890    4.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3627    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4360    5.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518    7.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  1  0  0  0
 20 25  1  1  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 11  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
>  <Mol_ID> (427)
428

>  <Formula> (427)
C21H25N5O2

>  <MolWeight> (427)
379.4555

>  <Cat> (427)
S9694

>  <Name> (427)
MLi-2

>  <Target> (427)
Others

>  <Form> (427)
free base

>  <CAS> (427)
1627091-47-7

>  <URL> (427)
http://www.selleckchem.com/products/mli-2.html

$$$$

csChFnd80/04192210382D

 32 35  0  0  0  0  0  0  0  0999 V2000
   10.0355    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    7.5694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4355    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6355    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6107    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    0.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0355    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3983    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0395    5.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8231    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8231    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0355    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2481    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2481    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6107    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0355    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2481    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2481    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8231    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0355    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6701    5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1006    4.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    3.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2 19  1  0  0  0  0
  2 25  1  0  0  0  0
  5 15  2  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  0  0  0  0
  9 19  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  1  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  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
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
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 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (428)
429

>  <Formula> (428)
C23H25N3O4S2

>  <MolWeight> (428)
471.5923

>  <Cat> (428)
S0050

>  <Name> (428)
ML277

>  <Synonyms> (428)
CID-53347902

>  <Target> (428)
Potassium Channel

>  <Form> (428)
Free Base

>  <CAS> (428)
1401242-74-7

>  <URL> (428)
http://www.selleckchem.com/products/ml277.html

$$$$

csChFnd80/04192210382D

 35 37  0  0  0  0  0  0  0  0999 V2000
   15.7707    6.1150    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074    0.5107    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1188    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2323    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    5.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5583    5.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2754    5.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9168    7.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9831    6.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4707    4.9026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0707    7.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1334    5.4150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    3.3102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6336    1.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6336    3.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9168    3.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1334    4.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    7.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3459    6.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4391    5.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    8.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    8.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    6.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  2  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 30  1  0  0  0  0
  5 35  1  0  0  0  0
  6 16  1  0  0  0  0
  6 23  1  0  0  0  0
  7 29  1  0  0  0  0
  8 21  2  0  0  0  0
  9 26  2  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 17 22  1  0  0  0  0
 17 30  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 20 22  2  0  0  0  0
 23 28  2  0  0  0  0
 23 31  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (429)
430

>  <Formula> (429)
C21H17F4N2O7P

>  <MolWeight> (429)
516.3362538

>  <Cat> (429)
S1335

>  <Name> (429)
VX-150

>  <Synonyms> (429)
EOS-62073

>  <Target> (429)
Sodium Channel

>  <Form> (429)
Free Base

>  <CAS> (429)
1793080-72-4

>  <URL> (429)
http://www.selleckchem.com/products/vx-150.html

$$$$

csChFnd80/04192210382D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.1972    6.3177    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2854    0.0063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    2.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    4.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4270    2.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    2.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    2.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9322    2.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9194    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 18  1  0  0  0  0
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  3 16  1  0  0  0  0
  4 12  2  0  0  0  0
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  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (430)
431

>  <Formula> (430)
C15H11Cl2NO4

>  <MolWeight> (430)
340.15814

>  <Cat> (430)
S6070

>  <Name> (430)
CBA (TRPM4-IN-5)

>  <Synonyms> (430)
Compound 5, TRPM4 inhibitor 5

>  <Target> (430)
TRP Channel

>  <Form> (430)
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>  <CAS> (430)
351424-20-9

>  <URL> (430)
http://www.selleckchem.com/products/cba-trpm4-in-1.html

$$$$

csChFnd80/04192210382D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (431)
432

>  <Formula> (431)
C19H23ClN2O

>  <MolWeight> (431)
330.85172

>  <Cat> (431)
S6943

>  <Name> (431)
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>  <Synonyms> (431)
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>  <Target> (431)
DUB

>  <Form> (431)
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>  <CAS> (431)
670270-31-2

>  <URL> (431)
http://www.selleckchem.com/products/iu1-47.html

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csChFnd80/04192210382D

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>  <Mol_ID> (432)
433

>  <Formula> (432)
C11H20ClNO3S

>  <MolWeight> (432)
281.7994

>  <Cat> (432)
S9782

>  <Name> (432)
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>  <Synonyms> (432)
PIN1-3

>  <Target> (432)
Others

>  <Form> (432)
Free Base

>  <CAS> (432)
2451481-08-4

>  <URL> (432)
http://www.selleckchem.com/products/sulfopin.html

$$$$

csChFnd80/04192210382D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (433)
434

>  <Formula> (433)
C19H12Cl3N3OS

>  <MolWeight> (433)
436.74208

>  <Cat> (433)
S9914

>  <Name> (433)
CITCO

>  <Synonyms> (433)
N/A

>  <Form> (433)
Free Base

>  <CAS> (433)
338404-52-7

>  <URL> (433)
http://www.selleckchem.com/products/citco.html

$$$$

csChFnd80/04192210382D

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>  <Mol_ID> (434)
435

>  <Formula> (434)
C27H36N6O4

>  <MolWeight> (434)
508.61254

>  <Cat> (434)
E0049

>  <Name> (434)
Pizuglanstat (TAS-205)

>  <Synonyms> (434)
N/A

>  <Target> (434)
PGDS

>  <Form> (434)
Free Base

>  <CAS> (434)
1244967-98-3

>  <URL> (434)
http://www.selleckchem.com/products/pizuglanstat.html

$$$$

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 22 23  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (435)
436

>  <Formula> (435)
C20H19F2N3O3

>  <MolWeight> (435)
387.3799664

>  <Cat> (435)
E0054

>  <Name> (435)
Tegoprazan

>  <Synonyms> (435)
CJ-12420, IN-A001, K-CAB, LXI-15028, RQ-00000004

>  <Target> (435)
ATPase

>  <Form> (435)
Free Base

>  <CAS> (435)
942195-55-3

>  <URL> (435)
http://www.selleckchem.com/products/tegoprazan.html

$$$$

csChFnd80/04192210382D

 33 35  0  0  0  0  0  0  0  0999 V2000
   15.8686    2.5151    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9562    2.0026    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4918    3.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    3.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    5.2826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4438    5.3179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288    6.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2793    1.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288    3.2137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7601    3.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6562    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    3.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288    8.8192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4438    3.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140    3.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140    5.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    3.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4891    5.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.4192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    3.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    1.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    1.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288    7.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2793    3.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6288    7.4192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7601    6.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3562    4.4275    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    3.1813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1228    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    1.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  8  2  0  0  0  0
 19 18  2  0  0  0  0
 32  7  1  0  0  0  0
 28 26  1  0  0  0  0
  3 12  1  0  0  0  0
 22 26  1  0  0  0  0
 10 27  2  0  0  0  0
 11 18  1  0  0  0  0
 20  4  1  0  0  0  0
  9 23  1  0  0  0  0
 24  9  1  0  0  0  0
 25  7  1  0  0  0  0
  2 13  1  0  0  0  0
 31 14  1  0  0  0  0
 12 18  1  0  0  0  0
 17  7  1  0  0  0  0
 31 33  1  6  0  0  0
 15 26  1  0  0  0  0
  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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  5 23  2  0  0  0  0
 16 13  1  0  0  0  0
 21 29  1  0  0  0  0
 14 27  1  0  0  0  0
 20 23  1  0  0  0  0
 30 13  1  0  0  0  0
 29 19  1  0  0  0  0
  1 13  1  0  0  0  0
  6 16  1  0  0  0  0
 20 25  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (436)
437

>  <Formula> (436)
C18H19F8N5O2

>  <MolWeight> (436)
489.3629856

>  <Cat> (436)
E0122

>  <Name> (436)
Gemigliptin

>  <Synonyms> (436)
Zemiglo, LC15-0444

>  <Target> (436)
DPP-4

>  <Form> (436)
Free Base

>  <CAS> (436)
911637-19-9

>  <URL> (436)
http://www.selleckchem.com/products/gemigliptin.html

$$$$
