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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
csChFnd80/08122210532D

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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
csChFnd80/08122210532D

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>  <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
csChFnd80/08122210532D

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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

$$$$

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>  <Mol_ID> (9)
9

>  <Formula> (9)
C25H23Cl2N5O

>  <MolWeight> (9)
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>  <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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ATM 

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587871-26-9

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

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

>  <URL> (12)
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PLK

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Free Base

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755038-02-9

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http://www.selleckchem.com/products/BI-2536.html

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c-Met 

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Free Base

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943540-75-8

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

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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C27H20ClFN4O4

>  <MolWeight> (17)
518.9235032

>  <Cat> (17)
S1133

>  <Name> (17)
MLN8237 (Alisertib)

>  <Synonyms> (17)
Alisertib

>  <Target> (17)
Aurora Kinase

>  <Form> (17)
Free Base

>  <CAS> (17)
1028486-01-2

>  <URL> (17)
http://www.selleckchem.com/products/MLN8237.html

$$$$
untitled.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C31H43N3O8

>  <MolWeight> (18)
585.68842

>  <Cat> (18)
S1141

>  <Name> (18)
17-AAG (Tanespimycin)

>  <Synonyms> (18)
N/A 

>  <Target> (18)
HSP

>  <Form> (18)
Free Base

>  <CAS> (18)
75747-14-7

>  <URL> (18)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
untitled.cdx
csChFnd80/08122210532D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C26H30FN7O3

>  <MolWeight> (19)
507.5599032

>  <Cat> (19)
S1147

>  <Name> (19)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (19)
AZD1152 

>  <Target> (19)
Aurora Kinase

>  <Form> (19)
Free Base

>  <CAS> (19)
722544-51-6

>  <URL> (19)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
CP-724,714.cdx
csChFnd80/08122210532D

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537705-08-1

>  <URL> (20)
http://www.selleckchem.com/products/CP-724714.html

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PI3K

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Free Base

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663619-89-4

>  <URL> (21)
http://www.selleckchem.com/products/TGX-221.html

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EGFR

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Free Base

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1214265-56-1

>  <URL> (22)
http://www.selleckchem.com/products/WZ3146.html

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>  <Mol_ID> (24)
24

>  <Formula> (24)
C24H25ClN6OS

>  <MolWeight> (24)
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WZ8040

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N/A

>  <Target> (24)
EGFR

>  <Form> (24)
Free Base

>  <CAS> (24)
1214265-57-2

>  <URL> (24)
http://www.selleckchem.com/products/WZ8040.html

$$$$
BIBR1532.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (25)
25

>  <Formula> (25)
C21H17NO3

>  <MolWeight> (25)
331.36458

>  <Cat> (25)
S1186

>  <Name> (25)
BIBR1532

>  <Synonyms> (25)
N/A

>  <Target> (25)
Telomerase

>  <Form> (25)
Free Base

>  <CAS> (25)
321674-73-1

>  <URL> (25)
http://www.selleckchem.com/products/BIBR1532.html

$$$$
Anastrozole.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C17H19N5

>  <MolWeight> (26)
293.36626

>  <Cat> (26)
S1188

>  <Name> (26)
Anastrozole

>  <Synonyms> (26)
Arimidex 

>  <Target> (26)
Aromatase

>  <Form> (26)
Free Base

>  <CAS> (26)
120511-73-1

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

$$$$
Aprepitant.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (27)
27

>  <Formula> (27)
C23H21F7N4O3

>  <MolWeight> (27)
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>  <Cat> (27)
S1189

>  <Name> (27)
Aprepitant (MK-0869)

>  <Synonyms> (27)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (27)
Substance P

>  <Form> (27)
Free Base

>  <CAS> (27)
170729-80-3

>  <URL> (27)
http://www.selleckchem.com/products/Aprepitant.html

$$$$
KU-0063794.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (28)
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mTOR 

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Free Base

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938440-64-3

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FGFR, VEGFR

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Free Base

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219580-11-7

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mTOR 

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Free Base

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1062169-56-5

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http://www.selleckchem.com/products/WYE-354.html

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Raf 

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918504-65-1

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M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C30H24N4O8

>  <MolWeight> (32)
568.53356

>  <Cat> (32)
S3057

>  <Name> (32)
Azilsartan Medoxomil (TAK-491)

>  <Synonyms> (32)
N/A

>  <Target> (32)
RAAS

>  <Form> (32)
Free Base

>  <CAS> (32)
863031-21-4

>  <URL> (32)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

$$$$
Medetomidine hcl.cdx
csChFnd80/08122210532D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
  2  5  1  0  0  0  0
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 11  4  1  0  0  0  0
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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C13H17ClN2

>  <MolWeight> (33)
236.74048

>  <Cat> (33)
S3060

>  <Name> (33)
Medetomidine HCl

>  <Synonyms> (33)
N/A

>  <Target> (33)
Adrenergic Receptor

>  <Form> (33)
HCl

>  <CAS> (33)
86347-15-1

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

$$$$
Prucalopride.cdx
csChFnd80/08122210532D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11  3  2  0  0  0  0
 19  4  1  0  0  0  0
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 13  6  1  0  0  0  0
 18  7  1  0  0  0  0
 12  8  1  0  0  0  0
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 21  9  1  0  0  0  0
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 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C18H26ClN3O3

>  <MolWeight> (34)
367.87034

>  <Cat> (34)
S2875

>  <Name> (34)
Prucalopride

>  <Synonyms> (34)
N/A

>  <Target> (34)
5-HT Receptor

>  <Form> (34)
Free Base

>  <CAS> (34)
179474-81-8

>  <URL> (34)
http://www.selleckchem.com/products/prucalopride.html

$$$$
TG100-115.cdx
csChFnd80/08122210532D

 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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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C18H14N6O2

>  <MolWeight> (35)
346.34276

>  <Cat> (35)
S1352

>  <Name> (35)
TG100-115

>  <Synonyms> (35)
N/A

>  <Target> (35)
PI3K

>  <Form> (35)
Free Base

>  <CAS> (35)
677297-51-7

>  <URL> (35)
http://www.selleckchem.com/products/TG100-115.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/08122210532D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C22H19Cl3N8

>  <MolWeight> (36)
501.79886

>  <Cat> (36)
S2924

>  <Name> (36)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (36)
N/A

>  <Target> (36)
PI3K/Akt/mTOR

>  <Form> (36)
Hydrochloride

>  <CAS> (36)
252917-06-9 (free base)

>  <URL> (36)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Pelitinib.cdx
csChFnd80/08122210532D

 33 35  0  0  0  0  0  0  0  0999 V2000
    8.4576    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    7.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  8 11  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  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
 18 19  2  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 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
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C24H23ClFN5O2

>  <MolWeight> (37)
467.9231232

>  <Cat> (37)
S1392

>  <Name> (37)
Pelitinib (EKB-569)

>  <Synonyms> (37)
WAY-EKB 569

>  <Target> (37)
EGFR

>  <Form> (37)
Free Base

>  <CAS> (37)
257933-82-7

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/08122210532D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    6.2903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 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  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C31H31ClFN7O2

>  <MolWeight> (38)
588.0749432

>  <Cat> (38)
S1451

>  <Name> (38)
Aurora A Inhibitor I

>  <Synonyms> (38)
N/A

>  <Target> (38)
Aurora Kinase

>  <Form> (38)
Free Base

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

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

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/08122210532D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0538   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 13  8  1  0  0  0  0
  9 14  2  0  0  0  0
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 13 20  1  0  0  0  0
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 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
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 31 34  1  0  0  0  0
 25 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C30H33ClN4O2

>  <MolWeight> (39)
517.06162

>  <Cat> (39)
S1452

>  <Name> (39)
Ispinesib (SB-715992)

>  <Synonyms> (39)
N/A 

>  <Target> (39)
Kinesin

>  <Form> (39)
Free Base

>  <CAS> (39)
336113-53-2

>  <URL> (39)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
untitled.cdx
csChFnd80/08122210532D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (40)
40

>  <Formula> (40)
C19H16N6O4S

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424.43314

>  <Cat> (40)
S1456

>  <Name> (40)
Zibotentan (ZD4054)

>  <Synonyms> (40)
N/A

>  <Target> (40)
ETA Receptor

>  <Form> (40)
Free Base

>  <CAS> (40)
186497-07-4

>  <URL> (40)
http://www.selleckchem.com/products/Zibotentan(ZD4054).html

$$$$
FCE28073.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (41)
41

>  <Formula> (41)
C18H23FN2O5S

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398.4490232

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S1472

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Safinamide Mesylate (FCE28073)

>  <Synonyms> (41)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

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MAO

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Mesylate

>  <CAS> (41)
202825-46-5

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

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>  <Mol_ID> (42)
42

>  <Formula> (42)
C21H16F4N4O2

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>  <Cat> (42)
S1474

>  <Name> (42)
GSK429286A

>  <Synonyms> (42)
N/A

>  <Target> (42)
ROCK 

>  <Form> (42)
Free Base

>  <CAS> (42)
864082-47-3

>  <URL> (42)
http://www.selleckchem.com/products/GSK429286A.html

$$$$
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>  <Mol_ID> (43)
43

>  <Formula> (43)
C15H15FIN3O3

>  <MolWeight> (43)
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>  <Cat> (43)
S1475

>  <Name> (43)
Pimasertib (AS-703026)

>  <Synonyms> (43)
MSC1936369B, SAR 245509

>  <Target> (43)
MEK 

>  <Form> (43)
Free Base

>  <CAS> (43)
1236699-92-5

>  <URL> (43)
http://www.selleckchem.com/products/AS703026.html

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C40H50N8O6

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HCV Protease

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1009119-64-5

>  <URL> (44)
http://www.selleckchem.com/products/BMS-790052.html

$$$$
CIALIS (tadalafil).cdx
csChFnd80/08122210532D

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Tadalafil (Cialis)

>  <Synonyms> (45)
IC 351

>  <Target> (45)
PDE

>  <Form> (45)
Free Base

>  <CAS> (45)
171596-29-5

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

$$$$
MK-1775.cdx
csChFnd80/08122210532D

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Wee1

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Free Base

>  <CAS> (46)
955365-80-7

>  <URL> (46)
http://www.selleckchem.com/products/MK-1775.html

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/08122210532D

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SGLT 

>  <Form> (47)
Free Base

>  <CAS> (47)
461432-26-8

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

$$$$
Pimobendan.cdx
csChFnd80/08122210532D

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Acardi, pimobendane

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PDE

>  <Form> (48)
Free Base

>  <CAS> (48)
74150-27-9

>  <URL> (48)
http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

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>  <Mol_ID> (49)
49

>  <Formula> (49)
C25H31N5O4

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N/A 

>  <Target> (49)
mTOR

>  <Form> (49)
Free Base

>  <CAS> (49)
1009298-09-2

>  <URL> (49)
http://www.selleckchem.com/products/AZD8055.html

$$$$
EX527.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (50)
50

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C13H13ClN2O

>  <MolWeight> (50)
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SEN0014196

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Sirtuin

>  <Form> (50)
Free Base

>  <CAS> (50)
49843-98-3

>  <URL> (50)
http://www.selleckchem.com/products/EX-527.html

$$$$
KU-60019.cdx
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>  <Mol_ID> (51)
51

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N/A

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ATM 

>  <Form> (51)
Free Base

>  <CAS> (51)
925701-49-1

>  <URL> (51)
http://www.selleckchem.com/products/KU-60019.html

$$$$
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>  <Mol_ID> (52)
52

>  <Formula> (52)
C26H21N3O2S

>  <MolWeight> (52)
439.52884

>  <Cat> (52)
S1577

>  <Name> (52)
Tie2 kinase inhibitor

>  <Synonyms> (52)
N/A

>  <Target> (52)
Tie-2

>  <Form> (52)
Free Base

>  <CAS> (52)
948557-43-5

>  <URL> (52)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$
Apixaban.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (53)
53

>  <Formula> (53)
C25H25N5O4

>  <MolWeight> (53)
459.4971

>  <Cat> (53)
S1593

>  <Name> (53)
Apixaban

>  <Synonyms> (53)
N/A

>  <Target> (53)
Factor Xa 

>  <Form> (53)
Free Base

>  <CAS> (53)
503612-47-3

>  <URL> (53)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

$$$$
ALLI (orlistat).cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C29H53NO5

>  <MolWeight> (54)
495.73482

>  <Cat> (54)
S1629

>  <Name> (54)
Orlistat (Alli, Xenical)

>  <Synonyms> (54)
Tetrahydrolipstatin

>  <Target> (54)
Lipase

>  <Form> (54)
Free Base

>  <CAS> (54)
96829-58-2

>  <URL> (54)
http://www.selleckchem.com/products/Orlistat(Alli).html

$$$$
CTEP.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (55)
55

>  <Formula> (55)
C19H13ClF3N3O

>  <MolWeight> (55)
391.7742296

>  <Cat> (55)
S2861

>  <Name> (55)
CTEP (RO4956371)

>  <Synonyms> (55)
N/A

>  <Target> (55)
GluR

>  <Form> (55)
Free Base

>  <CAS> (55)
871362-31-1

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

$$$$
Raltegravir.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (56)
56

>  <Formula> (56)
C20H21FN6O5

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>  <Cat> (56)
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>  <Synonyms> (56)
Isentress 

>  <Target> (56)
Integrase

>  <Form> (56)
Free Base

>  <CAS> (56)
518048-05-0

>  <URL> (56)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

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>  <Mol_ID> (57)
57

>  <Formula> (57)
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>  <MolWeight> (57)
539.58176

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AMG458

>  <Synonyms> (57)
N/A

>  <Target> (57)
c-Met

>  <Form> (57)
Free Base

>  <CAS> (57)
913376-83-7 

>  <URL> (57)
http://www.selleckchem.com/products/amg458.html

$$$$
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>  <Mol_ID> (58)
58

>  <Formula> (58)
C29H27N7O4S

>  <MolWeight> (58)
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>  <Cat> (58)
S2752

>  <Name> (58)
HER2 Inhibitor 1

>  <Synonyms> (58)
N/A

>  <Target> (58)
HER2, EGFR

>  <Form> (58)
Free Base

>  <CAS> (58)
937265-83-3

>  <URL> (58)
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

>  <URL> (68)
http://www.selleckchem.com/products/gw-842166x.html

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>  <Formula> (69)
C25H30N6O3

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Vistusertib (AZD2014)

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>  <Target> (69)
mTOR

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Free Base

>  <CAS> (69)
1009298-59-2

>  <URL> (69)
http://www.selleckchem.com/products/azd2014.html

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A-803467.cdx
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>  <Mol_ID> (70)
70

>  <Formula> (70)
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A-803467

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Sodium Channel 

>  <Form> (70)
Free Base

>  <CAS> (70)
944261-79-4

>  <URL> (70)
http://www.selleckchem.com/products/a-803467.html

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PMSF.cdx
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329-98-6

>  <URL> (71)
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>  <Formula> (72)
C26H22N2O2

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Sirtinol

>  <Synonyms> (72)
N/A 

>  <Target> (72)
Sirtuin 

>  <Form> (72)
Free Base

>  <CAS> (72)
410536-97-9

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

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GDC-0068.cdx
csChFnd80/08122210532D

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Akt 

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1001264-89-6

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148741-30-4

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1223001-51-1

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$$$$
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274901-16-5

>  <URL> (76)
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$$$$
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PARP

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Free Base

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328543-09-5

>  <URL> (77)
http://www.selleckchem.com/products/AG14361.html

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SB743921 HCl

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N/A

>  <Target> (78)
Kinesin

>  <Form> (78)
Hydrochloride

>  <CAS> (78)
940929-33-9

>  <URL> (78)
http://www.selleckchem.com/products/SB-743921.html

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79

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C23H25ClFN5O3

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AZD8931

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>  <Target> (79)
EGFR, HER2

>  <Form> (79)
Free Base

>  <CAS> (79)
848942-61-0

>  <URL> (79)
http://www.selleckchem.com/products/AZD8931.html

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GSK461364

>  <Synonyms> (80)
N/A

>  <Target> (80)
PLK

>  <Form> (80)
Free Base

>  <CAS> (80)
929095-18-1

>  <URL> (80)
http://www.selleckchem.com/products/GSK461364.html

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Mubritinib.cdx
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HER2

>  <Form> (81)
Free Base

>  <CAS> (81)
366017-09-6

>  <URL> (81)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

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N/A

>  <Target> (82)
STAT

>  <Form> (82)
Free Base

>  <CAS> (82)
35825-57-1

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

$$$$
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>  <Formula> (83)
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>  <Cat> (83)
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Icariin

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N/A

>  <Target> (83)
PDE

>  <Form> (83)
Free Base

>  <CAS> (83)
489-32-7

>  <URL> (83)
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>  <Formula> (84)
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>  <Synonyms> (84)
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>  <Target> (84)
Src

>  <Form> (84)
Free Base

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936563-96-1

>  <URL> (84)
http://www.selleckchem.com/products/pci-32765.html

$$$$
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366789-02-8

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

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N/A 

>  <Target> (86)
mTOR

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Free Base

>  <CAS> (86)
936890-98-1

>  <URL> (86)
http://www.selleckchem.com/products/OSI027.html

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>  <Mol_ID> (87)
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FAAH

>  <Form> (87)
Free Base

>  <CAS> (87)
546141-08-6 

>  <URL> (87)
http://www.selleckchem.com/products/urb597.html

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>  <Form> (88)
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>  <CAS> (88)
1166227-08-2 

>  <URL> (88)
http://www.selleckchem.com/products/a66.html

$$$$
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405168-58-3

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1292799-56-4 

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566939-85-3

>  <URL> (91)
http://www.selleckchem.com/products/TAK-700.html

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1062159-35-6 

>  <URL> (92)
http://www.selleckchem.com/products/way-600.html

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Odanacatib (MK 0822)

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MK0822

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Cathepsin K

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Free Base

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603139-19-1

>  <URL> (93)
http://www.selleckchem.com/products/Odanacatib-(MK0822).html

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Chk

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Free Base

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911222-45-2

>  <URL> (94)
http://www.selleckchem.com/products/LY2603618-IC-83.html

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N/A

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Free Base

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624-49-7

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

$$$$
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871700-17-3

>  <URL> (96)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

$$$$
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780757-88-2

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http://www.selleckchem.com/products/icg-001.html

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FAAH

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1196109-52-0

>  <URL> (98)
http://www.selleckchem.com/products/pf-3845.html

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Phosphorylase

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>  <CAS> (99)
186392-40-5

>  <URL> (99)
http://www.selleckchem.com/products/cp-91149.html

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942918-07-2

>  <URL> (100)
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Hydroxylase

>  <Form> (101)
Hydrochloride

>  <CAS> (101)
170151-24-3

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

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N/A

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EGFR

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1110813-31-4

>  <URL> (102)
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GSK-3

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264218-23-7

>  <URL> (103)
http://www.selleckchem.com/products/sb-415286.html

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mTOR 

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1224844-38-5

>  <URL> (104)
http://www.selleckchem.com/products/ink128.html

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322-79-2

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Tideglusib.cdx
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GSK-3

>  <Form> (112)
Free Base

>  <CAS> (112)
865854-05-3 

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

$$$$
carfilzomib(PR-171).cdx
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Proteasome

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Free Base

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868540-17-4

>  <URL> (113)
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http://www.selleckchem.com/products/t0070907.html

$$$$
GW 441756.cdx
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5-HT Receptor

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209481-20-9

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http://www.selleckchem.com/products/sb-271046.html

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5-HT Receptor

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Free Base

>  <CAS> (117)
607742-69-8

>  <URL> (117)
http://www.selleckchem.com/products/sb-742457.html

$$$$
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>  <Mol_ID> (118)
118

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>  <Name> (118)
ZM 323881 HCl

>  <Synonyms> (118)
N/A

>  <Target> (118)
VEGFR

>  <Form> (118)
Hydrochloride

>  <CAS> (118)
193000-39-4

>  <URL> (118)
http://www.selleckchem.com/products/zm-323881-hcl.html

$$$$
Lumiracoxib.cdx
csChFnd80/08122210532D

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Lumiracoxib (COX-189)

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COX

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220991-20-8

>  <URL> (119)
http://www.selleckchem.com/products/lumiracoxib-cox-189.html

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Histamine Receptor

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459168-41-3

>  <URL> (120)
http://www.selleckchem.com/products/jnj-7777120.html

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csChFnd80/08122210532D

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>  <Mol_ID> (121)
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C19H16N2O5

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IOX2

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N/A

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HIF

>  <Form> (121)
Free Base

>  <CAS> (121)
931398-72-0

>  <URL> (121)
http://www.selleckchem.com/products/iox2.html

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122

>  <Formula> (122)
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Saxagliptin (BMS-477118,Onglyza)

>  <Synonyms> (122)
N/A

>  <Target> (122)
DPP-4

>  <Form> (122)
Free Base

>  <CAS> (122)
361442-04-8

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

$$$$
Ambrisentan.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (123)
123

>  <Formula> (123)
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Ambrisentan

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N/A

>  <Target> (123)
Endothelin Receptor

>  <Form> (123)
Free Base

>  <CAS> (123)
177036-94-1

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (124)
124

>  <Formula> (124)
C18H23Cl2NO

>  <MolWeight> (124)
340.28732

>  <Cat> (124)
S2499

>  <Name> (124)
Phenoxybenzamine HCl

>  <Synonyms> (124)
N/A

>  <Target> (124)
Androgen Receptor

>  <Form> (124)
HCl

>  <CAS> (124)
63-92-3

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

$$$$
Sulbactam sodium.cdx
csChFnd80/08122210532D

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N/A

>  <Target> (125)
Antifection

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Sodium  salt

>  <CAS> (125)
69388-84-7

>  <URL> (125)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

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C9H8O4

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Aspirin (Acetylsalicylic acid)

>  <Synonyms> (126)
N/A

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COX

>  <Form> (126)
Free Base

>  <CAS> (126)
50-78-2

>  <URL> (126)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

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127

>  <Formula> (127)
C18H13F3N4O2

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S2899

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GNF-2

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N/A

>  <Target> (127)
Bcr-Abl

>  <Form> (127)
Free Base

>  <CAS> (127)
778270-11-4

>  <URL> (127)
http://www.selleckchem.com/products/gnf-2.html

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PF-04981517.cdx
csChFnd80/08122210532D

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1390637-82-7

>  <URL> (128)
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348622-88-8

>  <URL> (129)
http://www.selleckchem.com/products/uk-383367.html

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JZL184

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N/A

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Lipase

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Free Base

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1101854-58-3

>  <URL> (135)
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$$$$
RIMADYL (carprofen).cdx
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Carprofen

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N/A

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COX

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Free Base

>  <CAS> (136)
53716-49-7

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

$$$$
Eprosartan mesylate.cdx
csChFnd80/08122210532D

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137

>  <Formula> (137)
C24H28N2O7S2

>  <MolWeight> (137)
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S4102

>  <Name> (137)
Eprosartan Mesylate

>  <Synonyms> (137)
N/A

>  <Target> (137)
RAAS

>  <Form> (137)
Mesylate

>  <CAS> (137)
144143-96-4 

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

$$$$
S4246.cdx
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M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C9H12ClNR

>  <MolWeight> (138)
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S4246

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Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (138)
N/A

>  <Target> (138)
MAO

>  <Form> (138)
Hydrochloride

>  <CAS> (138)
4548-34-9

>  <URL> (138)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Daidzin.cdx
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M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C21H20O9

>  <MolWeight> (139)
416.3781

>  <Cat> (139)
S2289

>  <Name> (139)
Daidzin

>  <Synonyms> (139)
N/A

>  <Target> (139)
Others

>  <Form> (139)
Free Base

>  <CAS> (139)
552-66-9

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

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/08122210532D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C19H20F3IN2O5S

>  <MolWeight> (140)
572.3371796

>  <Cat> (140)
S1089

>  <Name> (140)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (140)
BAY 869766

>  <Target> (140)
MEK

>  <Form> (140)
Free Base

>  <CAS> (140)
923032-37-5

>  <URL> (140)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/08122210532D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C24H25ClFN5O3

>  <MolWeight> (141)
485.9384032

>  <Cat> (141)
S1011

>  <Name> (141)
Afatinib (BIBW2992)

>  <Synonyms> (141)
N/A

>  <Target> (141)
EGFR

>  <Form> (141)
Free Base

>  <CAS> (141)
439081-18-2

>  <URL> (141)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/08122210532D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C22H26ClF2NO4

>  <MolWeight> (142)
441.8959464

>  <Cat> (142)
S1549

>  <Name> (142)
Nebivolol HCl

>  <Synonyms> (142)
N/A

>  <Target> (142)
Adrenergic Receptor

>  <Form> (142)
Hydrochloride

>  <CAS> (142)
152520-56-4

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

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/08122210532D

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 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C14H16ClF2N3S

>  <MolWeight> (143)
331.8117464

>  <Cat> (143)
S4926

>  <Name> (143)
(R)-Nepicastat HCl

>  <Synonyms> (143)
RS-25560-198 HCl

>  <Target> (143)
Hydroxylase

>  <Form> (143)
Hydrochloride

>  <CAS> (143)
195881-94-8

>  <URL> (143)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

$$$$
S4002.cdx
csChFnd80/08122210532D

 34 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C16H20F6N5O6P

>  <MolWeight> (144)
523.3240802

>  <Cat> (144)
S4002

>  <Name> (144)
Sitagliptin phosphate monohydrate

>  <Synonyms> (144)
MK-0431

>  <Target> (144)
DPP-4

>  <Form> (144)
phosphate &monohydrate

>  <CAS> (144)
654671-77-9

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

$$$$
S1263.cdx
csChFnd80/08122210532D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C22H18Cl2N8

>  <MolWeight> (145)
465.33792

>  <Cat> (145)
S1263

>  <Name> (145)
CHIR-99021 (CT99021)

>  <Synonyms> (145)
N/A

>  <Target> (145)
GSK-3

>  <Form> (145)
Free Base

>  <CAS> (145)
252917-06-9

>  <URL> (145)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
S4586 4-Chloro-DL-phenylalanine.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C9H10ClNO2

>  <MolWeight> (146)
199.6342

>  <Cat> (146)
S4586

>  <Name> (146)
4-Chloro-DL-phenylalanine

>  <Synonyms> (146)
Fenclonine, PCPA, CP-10188

>  <Target> (146)
Hydroxylase

>  <Form> (146)
Free Base

>  <CAS> (146)
7424-00-2

>  <URL> (146)
http://www.selleckchem.com/products/4-chloro-dl-phenylalanine.html

$$$$
S4610 Mebendazole.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C16H13N3O3

>  <MolWeight> (147)
295.29272

>  <Cat> (147)
S4610

>  <Name> (147)
Mebendazole

>  <Synonyms> (147)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (147)
Antifection

>  <Form> (147)
Free Base

>  <CAS> (147)
31431-39-7

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

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/08122210532D

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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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> (148)
148

>  <Formula> (148)
C19H27NO3

>  <MolWeight> (148)
317.42258

>  <Cat> (148)
S1789

>  <Name> (148)
Tetrabenazine (Nitoman, Xenazine)

>  <Synonyms> (148)
N/A

>  <Target> (148)
5-alpha Reductase

>  <Form> (148)
Free Base

>  <CAS> (148)
58-46-8

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

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/08122210532D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.7000    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9124    5.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    6.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    8.1015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461    3.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.3015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5455    5.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    5.3015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    7.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    3.9092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2695    3.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9695    4.8305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0327    5.8709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4021    6.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440    4.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8734    1.9857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3055    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 19  1  0  0  0  0
 18 21  1  6  0  0  0
 19 22  1  6  0  0  0
 16 23  1  1  0  0  0
 23 24  3  0  0  0  0
 12 25  1  1  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C18H27N3O3

>  <MolWeight> (149)
333.42528

>  <Cat> (149)
S4697

>  <Name> (149)
Saxagliptin hydrate 

>  <Synonyms> (149)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (149)
DPP-4

>  <Form> (149)
hydrate

>  <CAS> (149)
945667-22-1

>  <URL> (149)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

$$$$
Pantoprazole.cdx
csChFnd80/08122210532D

 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
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    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
    0.0000    3.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.4207    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.2966    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3966    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8942    3.6331    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
  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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C16H15F2N3O4S

>  <MolWeight> (150)
383.3698064

>  <Cat> (150)
S2105

>  <Name> (150)
Pantoprazole (Protonix)

>  <Synonyms> (150)
N/A

>  <Target> (150)
Proton Pump

>  <Form> (150)
Free Base

>  <CAS> (150)
102625-70-7

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

$$$$
MK4827.cdx
csChFnd80/08122210532D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C19H20N4O

>  <MolWeight> (151)
320.3883

>  <Cat> (151)
S2741

>  <Name> (151)
MK-4827(Niraparib)

>  <Synonyms> (151)
N/A

>  <Target> (151)
PARP

>  <Form> (151)
Free Base

>  <CAS> (151)
1038915-60-4

>  <URL> (151)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/08122210532D

  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
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  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> (152)
152

>  <Formula> (152)
C6H7NO2

>  <MolWeight> (152)
125.12528

>  <Cat> (152)
S3692

>  <Name> (152)
N-Ethylmaleimide (NEM)

>  <Synonyms> (152)
N/A

>  <Target> (152)
cysteine peptidases

>  <Form> (152)
free base

>  <CAS> (152)
128-53-0

>  <URL> (152)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/08122210532D

 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
    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
  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
  7  6  1  0  0  0  0
  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> (153)
153

>  <Formula> (153)
C7H10N3NaO6S

>  <MolWeight> (153)
287.22557

>  <Cat> (153)
S3732

>  <Name> (153)
Avibactam sodium

>  <Synonyms> (153)
AVE-1330A, NXL104

>  <Target> (153)
 ¦Â-lactamase

>  <Form> (153)
sodium salt

>  <CAS> (153)
1192491-61-4

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

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/08122210532D

 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
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    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
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M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C15H14N4O2S

>  <MolWeight> (154)
314.36226

>  <Cat> (154)
S3673

>  <Name> (154)
Sulfaphenazole

>  <Synonyms> (154)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (154)
CYP2C9

>  <Form> (154)
free base

>  <CAS> (154)
526-08-9

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

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/08122210532D

 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
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  1  2  2  0  0  0  0
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 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C9H9BrO2

>  <MolWeight> (155)
229.07056

>  <Cat> (155)
S3678

>  <Name> (155)
PTP Inhibitor II

>  <Synonyms> (155)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (155)
PTP

>  <Form> (155)
free base

>  <CAS> (155)
2632-13-5

>  <URL> (155)
http://www.selleckchem.com/products/ptp-inhibitor-2.html

$$$$
INCB28060.cdx
csChFnd80/08122210532D

 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
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C23H17FN6O

>  <MolWeight> (156)
412.4190832

>  <Cat> (156)
S2788

>  <Name> (156)
Capmatinib (INCB28060)

>  <Synonyms> (156)
N/A

>  <Target> (156)
c-Met 

>  <Form> (156)
Free Base

>  <CAS> (156)
1029712-80-8

>  <URL> (156)
http://www.selleckchem.com/products/incb28060.html

$$$$
Torin 1.cdx
csChFnd80/08122210532D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C35H28F3N5O2

>  <MolWeight> (157)
607.6243296

>  <Cat> (157)
S2827

>  <Name> (157)
Torin 1

>  <Synonyms> (157)
N/A 

>  <Target> (157)
mTOR

>  <Form> (157)
Free Base

>  <CAS> (157)
1222998-36-8

>  <URL> (157)
http://www.selleckchem.com/products/torin-1.html

$$$$
IPA-3.cdx
csChFnd80/08122210532D

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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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1338466-77-5

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

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>  <Mol_ID> (163)
163

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S7206

>  <Name> (163)
CNX-2006

>  <Synonyms> (163)
N/A

>  <Target> (163)
EGFR

>  <Form> (163)
Free Base

>  <CAS> (163)
1375465-09-0

>  <URL> (163)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
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csChFnd80/08122210532D

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165

>  <Formula> (164)
C36H35BrN2O6

>  <MolWeight> (164)
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>  <Cat> (164)
S4854

>  <Name> (164)
Bedaquiline fumarate

>  <Synonyms> (164)
TMC-207

>  <Target> (164)
Antifection

>  <Form> (164)
fumarate

>  <CAS> (164)
845533-86-0

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

$$$$
S4935 Asunaprevir.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (165)
166

>  <Formula> (165)
C35H46ClN5O9S

>  <MolWeight> (165)
748.28584

>  <Cat> (165)
S4935

>  <Name> (165)
Asunaprevir

>  <Synonyms> (165)
BMS-650032

>  <Target> (165)
hepatitis C virus enzyme serine protease NS

>  <Form> (165)
free base

>  <CAS> (165)
630420-16-5

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

$$$$
S4856 Iproniazid.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (166)
167

>  <Formula> (166)
C9H13N3O

>  <MolWeight> (166)
179.21902

>  <Cat> (166)
S4856

>  <Name> (166)
Iproniazid

>  <Synonyms> (166)
Marsilid, Iprazid

>  <Target> (166)
MAO

>  <Form> (166)
free base

>  <CAS> (166)
54-92-2

>  <URL> (166)
http://selleckchem.com/products/Iproniazid.html

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/08122210532D

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>  <Mol_ID> (167)
168

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C18H21N5O2

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Alogliptin£¨SYR-322£©

>  <Synonyms> (167)
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DPP-4

>  <Form> (167)
Free Base

>  <CAS> (167)
850649-61-5

>  <URL> (167)
http://www.selleckchem.com/products/alogliptin-syr-322.html

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/08122210532D

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>  <Mol_ID> (168)
169

>  <Formula> (168)
C18H21N5O2

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339.39164

>  <Cat> (168)
S5365

>  <Name> (168)
Alogliptin

>  <CAS> (168)
850649-61-5

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/08122210532D

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170

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S8005

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SMI-4a

>  <Synonyms> (169)
N/A

>  <Target> (169)
Pim

>  <Form> (169)
Free Base

>  <CAS> (169)
438190-29-5

>  <URL> (169)
http://www.selleckchem.com/products/smi-4a.html

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (170)
171

>  <Formula> (170)
C25H26Cl3N7O

>  <MolWeight> (170)
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>  <Cat> (170)
S8012

>  <Name> (170)
CP-945598 HCl

>  <Synonyms> (170)
N/A

>  <Target> (170)
Cannabinoid Receptor

>  <Form> (170)
Hydrochloride

>  <CAS> (170)
686347-12-6

>  <URL> (170)
http://www.selleckchem.com/products/cp-945598-hcl.html

$$$$
GW 9508.cdx
csChFnd80/08122210532D

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885101-89-3

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PPAR

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317318-84-6

>  <URL> (172)
http://www.selleckchem.com/products/gw0742.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/08122210532D

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C18H20N2O4S

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FLT3

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Free Base

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301305-73-7

>  <URL> (173)
http://www.selleckchem.com/products/tcs-359.html

$$$$
NSC23766.cdx
csChFnd80/08122210532D

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175

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NSC 23766

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Rac

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HCl

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1177865-17-6

>  <URL> (174)
http://www.selleckchem.com/products/nsc-23766.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/08122210532D

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Sodium Fluorophosphate

>  <Target> (175)
Others
phosphatase

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Disodium salt

>  <CAS> (175)
10163-15-2

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

$$$$
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csChFnd80/08122210532D

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>  <URL> (176)
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864070-44-0

>  <URL> (177)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

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>  <URL> (178)
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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> (182)
https://www.selleckchem.com/products/gsk3787.html

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>  <URL> (183)
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M  END
>  <Mol_ID> (184)
185

>  <Formula> (184)
C30H40ClN7O3S

>  <MolWeight> (184)
614.2017

>  <Cat> (184)
S1108

>  <Name> (184)
TAE684 (NVP-TAE684)

>  <Synonyms> (184)
N/A 

>  <Target> (184)
ALK 

>  <Form> (184)
Free Base

>  <CAS> (184)
761439-42-3

>  <URL> (184)
http://www.selleckchem.com/products/NVP-TAE684.html

$$$$
SGX-523 .cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (185)
186

>  <Formula> (185)
C18H13N7S

>  <MolWeight> (185)
359.40772

>  <Cat> (185)
S1112

>  <Name> (185)
SGX-523

>  <Synonyms> (185)
N/A

>  <Target> (185)
c-Met 

>  <Form> (185)
Free Base

>  <CAS> (185)
1022150-57-7

>  <URL> (185)
http://www.selleckchem.com/products/SGX-523.html

$$$$
s1023.cdx
csChFnd80/08122210532D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
187

>  <Formula> (186)
C22H24ClN3O4

>  <MolWeight> (186)
429.89666

>  <Cat> (186)
S1023

>  <Name> (186)
Erlotinib(OSI-744)

>  <Synonyms> (186)
(CP358774, NSC 718781) HCl

>  <Target> (186)
EGFR

>  <Form> (186)
Hydrochloride

>  <CAS> (186)
183319-69-9

>  <URL> (186)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
Neratinib.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (187)
188

>  <Formula> (187)
C30H29ClN6O3

>  <MolWeight> (187)
557.04266

>  <Cat> (187)
S2150

>  <Name> (187)
Neratinib (HKI-272)

>  <Synonyms> (187)
N/A 

>  <Target> (187)
HER2, EGFR

>  <Form> (187)
Free Base

>  <CAS> (187)
698387-09-6

>  <URL> (187)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

$$$$
(-)-Huperzine A.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (188)
189

>  <Formula> (188)
C15H18N2O

>  <MolWeight> (188)
242.31622

>  <Cat> (188)
S2251

>  <Name> (188)
(-)-Huperzine A (HupA)

>  <Synonyms> (188)
N/A

>  <Target> (188)
AChR & GluR

>  <Form> (188)
Free Base

>  <CAS> (188)
102518-79-6

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

$$$$
ly404039.cdx
csChFnd80/08122210532D

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FGFR

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1538604-68-0

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http://www.selleckchem.com/products/blu9931.html

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Histone Methyltransferase

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Free Base

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1802175-06-9

>  <URL> (194)
http://www.selleckchem.com/products/cpi-360.html

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GSK-3

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Free Base

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667463-85-6

>  <URL> (195)
http://www.selleck.cn/products/bio-acetoxime.html

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Sirtuin

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709002-46-0

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1668553-26-1

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http://www.selleckchem.com/products/a-1210477.html

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ATR

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hydrochloride

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1876467-74-1(free base)

>  <URL> (198)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
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Savolitinib(AZD6094, HMPL-504)

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Volitinib

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MET

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free base

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1313725-88-0

>  <URL> (199)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

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1206731-57-8

>  <URL> (200)
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>  <Mol_ID> (201)
202

>  <Formula> (201)
C32H37N5O3

>  <MolWeight> (201)
539.66788

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S7004

>  <Name> (201)
EPZ005687

>  <Synonyms> (201)
N/A

>  <Target> (201)
Histone Methyltransferase

>  <Form> (201)
Free Base

>  <CAS> (201)
1396772-26-1

>  <URL> (201)
http://www.selleckchem.com/products/epz005687.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/08122210532D

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>  <Mol_ID> (202)
203

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C15H11ClN2OS

>  <MolWeight> (202)
302.77864

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S7176

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SKI II

>  <Synonyms> (202)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (202)
S1P Receptor

>  <Form> (202)
Free Base

>  <CAS> (202)
312636-16-1

>  <URL> (202)
http://www.selleckchem.com/products/ski-ii.html

$$$$
GSK2334470.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (203)
204

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C25H34N8O

>  <MolWeight> (203)
462.59046

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S7087

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GSK2334470

>  <Synonyms> (203)
N/A

>  <Target> (203)
PDK-1

>  <Form> (203)
Free Base

>  <CAS> (203)
1227911-45-6

>  <URL> (203)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
Thiamet G.cdx
csChFnd80/08122210532D

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205

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C9H16N2O4S

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Thiamet G 

>  <Synonyms> (204)
N/A

>  <Target> (204)
Others

>  <Form> (204)
Free Base

>  <CAS> (204)
1009816-48-1

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

$$$$
RGFP966.cdx
csChFnd80/08122210532D

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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (205)
206

>  <Formula> (205)
C21H19FN4O

>  <MolWeight> (205)
362.4001632

>  <Cat> (205)
S7229

>  <Name> (205)
RGFP966

>  <Synonyms> (205)
N/A

>  <Target> (205)
HDAC

>  <Form> (205)
Free Base

>  <CAS> (205)
1396841-57-8

>  <URL> (205)
http://www.selleckchem.com/products/rgfp966.html

$$$$
dynasore .cdx
csChFnd80/08122210532D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (206)
207

>  <Formula> (206)
C18H14N2O4

>  <MolWeight> (206)
322.31476

>  <Cat> (206)
S8047

>  <Name> (206)
Dynasore

>  <Synonyms> (206)
N/A

>  <Target> (206)
Dynamin

>  <Form> (206)
Free Base

>  <CAS> (206)
304448-55-3

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

$$$$
SGC 0946.cdx
csChFnd80/08122210532D

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    0.0000    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 28 31  1  0  0  0  0
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 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (207)
208

>  <Formula> (207)
C28H40BrN7O4

>  <MolWeight> (207)
618.5657

>  <Cat> (207)
S7079

>  <Name> (207)
SGC 0946

>  <Synonyms> (207)
N/A

>  <Target> (207)
Histone Methyltransferase

>  <Form> (207)
Free Base

>  <URL> (207)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
AZD1981.cdx
csChFnd80/08122210532D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (208)
209

>  <Formula> (208)
C19H17ClN2O3S

>  <MolWeight> (208)
388.86788

>  <Cat> (208)
S7263

>  <Name> (208)
AZD1981

>  <Synonyms> (208)
N/A

>  <Target> (208)
GPR

>  <Form> (208)
Free Base

>  <CAS> (208)
802904-66-1

>  <URL> (208)
http://www.selleckchem.com/products/azd1981.html

$$$$
SRPIN340.cdx
csChFnd80/08122210532D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
210

>  <Formula> (209)
C18H18F3N3O

>  <MolWeight> (209)
349.3502296

>  <Cat> (209)
S7270

>  <Name> (209)
SRPIN340

>  <Synonyms> (209)
N/A

>  <Target> (209)
Others

>  <Form> (209)
Free Base

>  <CAS> (209)
218156-96-8

>  <URL> (209)
http://www.selleckchem.com/products/srpin340.html

$$$$
XL388.cdx
csChFnd80/08122210532D

 32 35  0  0  0  0  0  0  0  0999 V2000
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Tazemetostat (EPZ-6438)

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E7438

>  <Target> (213)
Histone Methyltransferase

>  <Form> (213)
Free Base

>  <CAS> (213)
1403254-99-8

>  <URL> (213)
http://www.selleckchem.com/products/epz-6438.html

$$$$
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RVX-000222

>  <Target> (214)
Epigenetic Reader Domain

>  <Form> (214)
Free Base

>  <CAS> (214)
1044870-39-4

>  <URL> (214)
http://www.selleckchem.com/products/rvx-208.html

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SSR128129E (SSR)

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SSR

>  <Target> (215)
FGFR

>  <Form> (215)
Free Base

>  <CAS> (215)
848318-25-2

>  <URL> (215)
http://www.selleckchem.com/products/ssr128129e.html

$$$$
UNC1999.cdx
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UNC1999

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N/A

>  <Target> (216)
Histone Methyltransferase

>  <Form> (216)
Free Base

>  <CAS> (216)
1431612-23-5

>  <URL> (216)
http://www.selleckchem.com/products/unc1999.html

$$$$
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223

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C12H12N4O4S

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GSK-3¦Â Inhibitor VIII

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GSK-3

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Free Base

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487021-52-3

>  <URL> (222)
http://www.selleckchem.com/products/ar-a014418.html

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C23H21FN6O

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416.4508432

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GSK2656157

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N/A

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PERK

>  <Form> (223)
Free Base

>  <CAS> (223)
1337532-29-2

>  <URL> (223)
http://www.selleckchem.com/products/gsk2656157.html

$$$$
MK8745.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (224)
225

>  <Formula> (224)
C20H19ClFN5OS

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431.9141632

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S7065

>  <Name> (224)
MK8745

>  <Synonyms> (224)
N/A

>  <Target> (224)
Aurora Kinase

>  <Form> (224)
Free Base

>  <CAS> (224)
885325-71-3

>  <URL> (224)
http://www.selleckchem.com/products/mk-8745.html

$$$$
Atglistatin.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (225)
226

>  <Formula> (225)
C17H21N3O

>  <MolWeight> (225)
283.36814

>  <Cat> (225)
S7364

>  <Name> (225)
Atglistatin

>  <Synonyms> (225)
N/A

>  <Target> (225)
Lipase

>  <Form> (225)
Free Base

>  <CAS> (225)
1469924-27-3

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

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (226)
227

>  <Formula> (226)
C17H30N2O5

>  <MolWeight> (226)
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>  <Cat> (226)
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>  <Name> (226)
E-64d(Aloxistatin,Loxistatin£©

>  <Synonyms> (226)
E-64d

>  <Target> (226)
Cysteine Protease

>  <Form> (226)
Free Base

>  <CAS> (226)
88321-09-9

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

$$$$
LM-3230 NH125.cdx
csChFnd80/08122210532D

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NH125

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N/A

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CaMK

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iodide

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278603-08-0

>  <URL> (227)
http://www.selleckchem.com/products/nh125.html

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LDN193189 HCl.cdx
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LDN193189 HCl

>  <Synonyms> (228)
N/A

>  <Target> (228)
TGF-beta/Smad

>  <Form> (228)
Hydrochloride

>  <CAS> (228)
1062368-62-0

>  <URL> (228)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
1-Azakenpaullone.cdx
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GSK-3

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Free Base

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676596-65-9

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

$$$$
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PERK

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1403783-31-2

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1432660-47-3

>  <URL> (232)
http://www.selleckchem.com/products/agi-6780.html

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1062368-49-3

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http://www.selleckchem.com/products/ml347.html

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1206711-16-1

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Loxistatin Acid (E-64C)

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Cysteine Protease

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Free Base

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76684-89-4

>  <URL> (236)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

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Trelagliptin

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SYR-472

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DPP-4

>  <Form> (237)
Free Base

>  <CAS> (237)
865759-25-7

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

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HSP

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1253584-84-7

>  <URL> (238)
http://www.selleckchem.com/products/nms-e973.html

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1421373-65-0

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M  END
>  <Mol_ID> (240)
241

>  <Formula> (240)
C21H23FN2O4

>  <MolWeight> (240)
386.4167232

>  <Cat> (240)
S7391

>  <Name> (240)
Z-FA-FMK

>  <Synonyms> (240)
N/A

>  <Target> (240)
Cysteine Protease

>  <Form> (240)
Free Base

>  <CAS> (240)
197855-65-5

>  <URL> (240)
http://www.selleckchem.com/products/z-fa-fmk.html

$$$$
AZD9668.cdx
csChFnd80/08122210532D

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242

>  <Formula> (241)
C24H20F3N5O4S

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S7218

>  <Name> (241)
Alvelestat (AZD9668£©

>  <Synonyms> (241)
N/A

>  <Target> (241)
Serine Protease

>  <Form> (241)
Free Base

>  <CAS> (241)
848141-11-7

>  <URL> (241)
http://www.selleckchem.com/products/avelestat-azd9668.html

$$$$
Darapladib.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (242)
243

>  <Formula> (242)
C36H38F4N4O2S

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666.7711328

>  <Cat> (242)
S7520

>  <Name> (242)
Darapladib (SB-480848)

>  <Synonyms> (242)
N/A

>  <Target> (242)
Phospholipase (e.g. PLA)

>  <Form> (242)
Free Base

>  <CAS> (242)
356057-34-6

>  <URL> (242)
http://www.selleckchem.com/products/darapladib-sb-480848.html

$$$$
PF-543 .cdx
csChFnd80/08122210532D

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>  <Mol_ID> (243)
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>  <MolWeight> (243)
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>  <Cat> (243)
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>  <Name> (243)
PF-543

>  <Synonyms> (243)
N/A

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1217022-63-3

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   10.5570    4.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4491    7.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (248)
249

>  <Formula> (248)
C34H37N5O4

>  <MolWeight> (248)
579.68868

>  <Cat> (248)
S7051

>  <Name> (248)
CGI1746

>  <Synonyms> (248)
N/A

>  <Target> (248)
BTK

>  <Form> (248)
Free Base

>  <CAS> (248)
910232-84-7

>  <URL> (248)
http://www.selleckchem.com/products/cgi1746.html

$$$$
PI-1840.cdx
csChFnd80/08122210532D

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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (249)
250

>  <Formula> (249)
C22H26N4O3

>  <MolWeight> (249)
394.46684

>  <Cat> (249)
S7462

>  <Name> (249)
PI-1840

>  <Synonyms> (249)
N/A

>  <Target> (249)
Proteasome

>  <Form> (249)
Free Base

>  <CAS> (249)
1401223-22-0

>  <URL> (249)
http://www.selleckchem.com/products/pi-1840.html

$$$$
AEBSF hydrochloride .cdx
csChFnd80/08122210532D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (250)
251

>  <Formula> (250)
C8H11ClFNO2S

>  <MolWeight> (250)
239.6948432

>  <Cat> (250)
S7378

>  <Name> (250)
AEBSF HCl

>  <Synonyms> (250)
N/A

>  <Target> (250)
Serine Protease

>  <Form> (250)
Hydrochloride

>  <CAS> (250)
30827-99-7

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

$$$$
MALT1 inhibitor.cdx
csChFnd80/08122210532D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (251)
252

>  <Formula> (251)
C19H17Cl3N4O3

>  <MolWeight> (251)
455.72228

>  <Cat> (251)
S7429

>  <Name> (251)
MI-2 (MALT1 inhibitor)

>  <Synonyms> (251)
N/A

>  <Target> (251)
MALT

>  <Form> (251)
Free Base

>  <CAS> (251)
1047953-91-2

>  <URL> (251)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

$$$$
HJC0350.cdx
csChFnd80/08122210532D

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258

>  <Formula> (257)
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>  <Cat> (257)
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>  <Synonyms> (257)
N/A

>  <Target> (257)
PLK

>  <Form> (257)
Free Base

>  <CAS> (257)
1034616-18-6

>  <URL> (257)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

$$$$
ESI-09.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (258)
259

>  <Formula> (258)
C16H15ClN4O2

>  <MolWeight> (258)
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>  <Cat> (258)
S7499

>  <Name> (258)
ESI-09

>  <Synonyms> (258)
N/A

>  <Target> (258)
cAMP

>  <Form> (258)
Free Base

>  <CAS> (258)
263707-16-0

>  <URL> (258)
http://www.selleckchem.com/products/esi-09.html

$$$$
Z-DEVD-FMK.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (259)
260

>  <Formula> (259)
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>  <MolWeight> (259)
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>  <Cat> (259)
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>  <Name> (259)
Z-DEVD-FMK

>  <Synonyms> (259)
Caspase-3 Inhibitor

>  <Target> (259)
Caspase

>  <Form> (259)
Free Base

>  <CAS> (259)
210344-95-9

>  <URL> (259)
http://www.selleckchem.com/products/z-devd-fmk.html

$$$$
PFI-2.cdx
csChFnd80/08122210532D

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PFI-2 HCl

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N/A

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Histone Methyltransferase

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Hydrochloride

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1627676-59-8

>  <URL> (260)
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Bisindolylmaleimide I (GF109203X)

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GO 6850

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PKC

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Free Base

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133052-90-1

>  <URL> (261)
http://www.selleckchem.com/products/gf109203x.html

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Ro3280

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Ro5203280

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PLK

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1062243-51-9

>  <URL> (262)
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196309-76-9

>  <URL> (263)
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TCS JNK 5a

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JNK

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>  <CAS> (264)
312917-14-9

>  <URL> (264)
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1045792-66-2

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1092364-38-9

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M  END
>  <Mol_ID> (274)
275

>  <Formula> (274)
C22H30ClN3O3S2

>  <MolWeight> (274)
484.0749

>  <Cat> (274)
S7465

>  <Name> (274)
FTI 277 HCl

>  <Synonyms> (274)
N/A

>  <Target> (274)
Transferase

>  <Form> (274)
hydrochloride salt

>  <CAS> (274)
180977-34-8

>  <URL> (274)
http://www.selleckchem.com/products/fti-277-hcl.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (275)
276

>  <Formula> (275)
C24H28Cl2N2O4

>  <MolWeight> (275)
479.39612

>  <Cat> (275)
S7720

>  <Name> (275)
SBE 13 HCl

>  <Synonyms> (275)
N/A

>  <Target> (275)
PLK

>  <Form> (275)
Hydrochloride

>  <CAS> (275)
1052532-15-6

>  <URL> (275)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
SD208.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (276)
277

>  <Formula> (276)
C17H10ClFN6

>  <MolWeight> (276)
352.7529032

>  <Cat> (276)
S7624

>  <Name> (276)
SD-208

>  <Synonyms> (276)
N/A

>  <Target> (276)
TGF-beta/Smad

>  <Form> (276)
Free Base

>  <CAS> (276)
627536-09-8

>  <URL> (276)
http://www.selleckchem.com/products/sd-208.html

$$$$
LFM-A13.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (277)
278

>  <Formula> (277)
C11H8Br2N2O2

>  <MolWeight> (277)
360.00142

>  <Cat> (277)
S7734

>  <Name> (277)
LFM-A13

>  <Synonyms> (277)
N/A

>  <Target> (277)
BTK

>  <Form> (277)
Free Base

>  <CAS> (277)
244240-24-2

>  <URL> (277)
http://www.selleckchem.com/products/lfm-a13.html

$$$$
XEN445.cdx
csChFnd80/08122210532D

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

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Free Base

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1515856-92-4

>  <URL> (278)
http://www.selleckchem.com/products/xen445.html

$$$$
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280

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BLZ945

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N/A

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CSF-1R

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Free Base

>  <CAS> (279)
953769-46-5

>  <URL> (279)
http://www.selleckchem.com/products/blz945.html

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281

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C28H25FN6O3

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512.5349032

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S7063

>  <Name> (280)
LY2090314

>  <Synonyms> (280)
603288-22-8

>  <Target> (280)
GSK-3

>  <Form> (280)
Free Base

>  <CAS> (280)
603288-22-8

>  <URL> (280)
http://www.selleckchem.com/products/ly2090314.html

$$$$
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csChFnd80/08122210532D

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282

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C14H22Cl2N2

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289.24388

>  <Cat> (281)
S7574

>  <Name> (281)
GSK-LSD1 2HCl

>  <Synonyms> (281)
N/A

>  <Target> (281)
Histone Demethylase

>  <Form> (281)
Dihydrochloride

>  <CAS> (281)
1431368-48-7

>  <URL> (281)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
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C31H38N6O2

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GSK126

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>  <Target> (282)
Histone Methyltransferase

>  <Form> (282)
Free Base

>  <CAS> (282)
1346574-57-9

>  <URL> (282)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (283)
284

>  <Formula> (283)
C20H25N5O3

>  <MolWeight> (283)
383.4442

>  <Cat> (283)
S7748

>  <Name> (283)
EPZ015666

>  <Synonyms> (283)
N/A

>  <Target> (283)
Histone Methyltransferase

>  <Form> (283)
Free Base

>  <CAS> (283)
1616391-65-1

>  <URL> (283)
http://www.selleckchem.com/products/epz015666.html

$$$$
Erlotinib free Base.cdx
csChFnd80/08122210532D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (284)
285

>  <Formula> (284)
C22H23N3O4

>  <MolWeight> (284)
393.43572

>  <Cat> (284)
S7786

>  <Name> (284)
Erlotinib

>  <Synonyms> (284)
CP358774, NSC 718781

>  <Target> (284)
EGFR

>  <Form> (284)
Free Base

>  <CAS> (284)
183321-74-6

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

$$$$
CL-387785.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (285)
286

>  <Formula> (285)
C18H13BrN4O

>  <MolWeight> (285)
381.22602

>  <Cat> (285)
S7557

>  <Name> (285)
CL-387785 (EKI-785)

>  <Synonyms> (285)
N/A

>  <Target> (285)
EGFR

>  <Form> (285)
Free Base

>  <CAS> (285)
194423-06-8

>  <URL> (285)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (286)
287

>  <Formula> (286)
C24H30ClN7O2

>  <MolWeight> (286)
483.9937

>  <Cat> (286)
S1116

>  <Name> (286)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (286)
N/A

>  <Target> (286)
CDK

>  <Form> (286)
Hydrochloride

>  <CAS> (286)
827022-32-2, 571190-30-2 (free base)

>  <URL> (286)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/08122210532D

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    6.5904    1.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  4 10  2  0  0  0  0
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 16 20  1  0  0  0  0
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 27 28  1  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
  9 11  2  0  0  0  0
 13 18  2  0  0  0  0
 14 15  1  0  0  0  0
 26 27  2  0  0  0  0
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 37 39  2  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (287)
288

>  <Formula> (287)
C26H35N7O6S

>  <MolWeight> (287)
573.6644

>  <Cat> (287)
S1579

>  <Name> (287)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (287)
N/A

>  <Target> (287)
CDK

>  <Form> (287)
Isethionate

>  <CAS> (287)
827022-33-3, 571190-30-2(free base)

>  <URL> (287)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/08122210532D

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 30 26  1  0  0  0  0
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 35 36  2  0  0  0  0
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 39 40  1  0  0  0  0
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M  END
>  <Mol_ID> (288)
289

>  <Formula> (288)
C32H33ClFN5O11

>  <MolWeight> (288)
718.0827232

>  <Cat> (288)
S7810

>  <Name> (288)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (288)
N/A

>  <Target> (288)
EGFR

>  <Form> (288)
Dimaleate

>  <CAS> (288)
850140-73-7

>  <URL> (288)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
VER155008.cdx
csChFnd80/08122210532D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (289)
290

>  <Formula> (289)
C25H23Cl2N7O4

>  <MolWeight> (289)
556.40062

>  <Cat> (289)
S7751

>  <Name> (289)
VER155008

>  <Synonyms> (289)
C07

>  <Target> (289)
HSP (e.g. HSP90)

>  <Form> (289)
Free Base

>  <CAS> (289)
1134156-31-2

>  <URL> (289)
http://www.selleckchem.com/products/ver155008.html

$$$$
HTH-01-015.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (290)
291

>  <Formula> (290)
C26H28N8O

>  <MolWeight> (290)
468.55352

>  <Cat> (290)
S7318

>  <Name> (290)
HTH-01-015

>  <Synonyms> (290)
N/A

>  <Target> (290)
AMPK

>  <Form> (290)
Free Base

>  <CAS> (290)
1613724-42-7

>  <URL> (290)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/08122210532D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (291)
292

>  <Formula> (291)
C21H21F3IN3O2

>  <MolWeight> (291)
531.3100196

>  <Cat> (291)
S8041

>  <Name> (291)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (291)
XL518

>  <Target> (291)
MEK

>  <Form> (291)
Free Base

>  <CAS> (291)
934660-93-2

>  <URL> (291)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BPTES.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (292)
293

>  <Formula> (292)
C24H24N6O2S3

>  <MolWeight> (292)
524.68136

>  <Cat> (292)
S7753

>  <Name> (292)
BPTES

>  <Synonyms> (292)
N/A

>  <Target> (292)
Glutaminase

>  <Form> (292)
Free Base

>  <CAS> (292)
314045-39-1

>  <URL> (292)
http://www.selleckchem.com/products/bptes.html

$$$$
PFI-4.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (293)
294

>  <Formula> (293)
C21H24N4O3

>  <MolWeight> (293)
380.44026

>  <Cat> (293)
S7906

>  <Name> (293)
PFI-4

>  <Synonyms> (293)
N/A

>  <Target> (293)
Epigenetic Reader Domain

>  <Form> (293)
Free Base

>  <CAS> (293)
900305-37-5

>  <URL> (293)
http://www.selleckchem.com/products/pfi-4.html

$$$$
FIIN-2.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (294)
295

>  <Formula> (294)
C35H38N8O4

>  <MolWeight> (294)
634.72742

>  <Cat> (294)
S7714

>  <Name> (294)
FIIN-2

>  <Synonyms> (294)
N/A

>  <Target> (294)
FGFR

>  <Form> (294)
Free Base

>  <CAS> (294)
1633044-56-0

>  <URL> (294)
http://www.selleckchem.com/products/fiin-2.html

$$$$
ORY-1001.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (295)
296

>  <Formula> (295)
C15H24Cl2N2

>  <MolWeight> (295)
303.27046

>  <Cat> (295)
S7795

>  <Name> (295)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (295)
N/A

>  <Target> (295)
Histone Demethylase

>  <Form> (295)
Dihydrochloride

>  <CAS> (295)
1431326-61-2

>  <URL> (295)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
Fumagillin.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (296)
297

>  <Formula> (296)
C26H34O7

>  <MolWeight> (296)
458.54396

>  <Cat> (296)
S7784

>  <Name> (296)
Fumagillin

>  <Synonyms> (296)
N/A

>  <Target> (296)
Others

>  <Form> (296)
Free Base

>  <CAS> (296)
23110-15-8

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

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (297)
298

>  <Formula> (297)
C24H20Cl2FN5O2

>  <MolWeight> (297)
500.3523032

>  <Cat> (297)
S7709

>  <Name> (297)
VX-11e

>  <Synonyms> (297)
VTX-11e, Vertex-11e

>  <Target> (297)
ERK

>  <Form> (297)
Free Base

>  <CAS> (297)
896720-20-0

>  <URL> (297)
http://www.selleckchem.com/products/vx-11e.html

$$$$
NVP-TNKS656.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (298)
299

>  <Formula> (298)
C27H34N4O5

>  <MolWeight> (298)
494.58266

>  <Cat> (298)
S7238

>  <Name> (298)
NVP-TNKS656

>  <Synonyms> (298)
N/A

>  <Target> (298)
PARP

>  <Form> (298)
Free Base

>  <CAS> (298)
1419949-20-4

>  <URL> (298)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/08122210532D

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>  <Mol_ID> (299)
300

>  <Formula> (299)
C21H28FN3O7

>  <MolWeight> (299)
453.4613232

>  <Cat> (299)
S8102

>  <Name> (299)
Z-VAD(OH)-FMK

>  <Synonyms> (299)
N/A

>  <Target> (299)
Caspase

>  <Form> (299)
Free Base

>  <CAS> (299)
161401-82-7

>  <URL> (299)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

$$$$
GSK2879552.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (300)
301

>  <Formula> (300)
C23H30Cl2N2O2

>  <MolWeight> (300)
437.4025

>  <Cat> (300)
S7796

>  <Name> (300)
GSK2879552 2HCl

>  <Synonyms> (300)
N/A

>  <Target> (300)
Histone Demethylase

>  <Form> (300)
Dihydrochloride

>  <CAS> (300)
1401966-69-5

>  <URL> (300)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
CC-223.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (301)
302

>  <Formula> (301)
C21H27N5O3

>  <MolWeight> (301)
397.47078

>  <Cat> (301)
S7886

>  <Name> (301)
CC-223

>  <Synonyms> (301)
N/A

>  <Target> (301)
mTOR

>  <Form> (301)
Free Base

>  <CAS> (301)
1228013-30-6

>  <URL> (301)
http://www.selleckchem.com/products/cc-223.html

$$$$
MCC950.cdx
csChFnd80/08122210532D

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256373-96-3

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http://www.selleckchem.com/products/mcc950-sodium-salt.html

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VPS34-IN1

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Vps34-IN-1

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PI3K

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Free Base

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1383716-33-3

>  <URL> (303)
http://www.selleckchem.com/products/vps34-in1.html

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csChFnd80/08122210532D

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AZ-6102

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PPAR

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Free Base

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1645286-75-4

>  <URL> (304)
http://www.selleckchem.com/products/az6102.html

$$$$
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PF-CBP1 HCL

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N/A

>  <Target> (305)
Epigenetic Reader Domain

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Hydrochloride

>  <URL> (305)
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$$$$
Acalabrutinib.cdx
csChFnd80/08122210532D

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1420477-60-6

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

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I-BRD9 (GSK602)

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GSK602

>  <Target> (307)
Epigenetic Reader Domain

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Free Base

>  <CAS> (307)
1714146-59-4

>  <URL> (307)
http://www.selleckchem.com/products/i-brd9-gsk602.html

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TRPV

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472981-92-3

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http://www.selleckchem.com/products/sb366791.html

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1393465-84-3

>  <URL> (309)
http://www.selleckchem.com/products/plx7904.html

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Histone Methyltransferase

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Free Base

>  <CAS> (311)
1527503-11-2

>  <URL> (311)
http://www.selleckchem.com/products/a-366.html

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PI3K

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Free Base

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1254036-66-2

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http://www.selleckchem.com/products/gsk2292767.html

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c-Met

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1173699-31-4

>  <URL> (313)
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M  END
>  <Mol_ID> (314)
315

>  <Formula> (314)
C6H15ClF2N2O3

>  <MolWeight> (314)
236.6447064

>  <Cat> (314)
S4582

>  <Name> (314)
Eflornithine hydrochloride hydrate

>  <Synonyms> (314)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (314)
Decarboxylase

>  <Form> (314)
hydrochloride hydrate

>  <CAS> (314)
96020-91-6

>  <URL> (314)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (315)
316

>  <Formula> (315)
C26H27F4N3O7

>  <MolWeight> (315)
569.5020928

>  <Cat> (315)
S7775

>  <Name> (315)
Emricasan (IDN-6556, PF-03491390)

>  <Synonyms> (315)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (315)
Caspase

>  <Form> (315)
Free Base

>  <CAS> (315)
254750-02-2

>  <URL> (315)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/08122210532D

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>  <Mol_ID> (316)
317

>  <Formula> (316)
C24H24FN7O

>  <MolWeight> (316)
445.4920632

>  <Cat> (316)
S8292

>  <Name> (316)
Selonsertib (GS-4997)

>  <Synonyms> (316)
N/A

>  <Target> (316)
Caspase

>  <Form> (316)
Free Base

>  <CAS> (316)
1448428-04-3

>  <URL> (316)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
SIS3.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (317)
318

>  <Formula> (317)
C28H28ClN3O3

>  <MolWeight> (317)
489.99322

>  <Cat> (317)
S7959

>  <Name> (317)
SIS3 HCl

>  <Synonyms> (317)
N/A

>  <Target> (317)
TGF-beta/Smad

>  <Form> (317)
hydrochloride

>  <CAS> (317)
521984-48-5

>  <URL> (317)
http://www.selleckchem.com/products/sis3.html

$$$$
KYA1797K.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (318)
319

>  <Formula> (318)
C17H11KN2O6S2

>  <MolWeight> (318)
442.50734

>  <Cat> (318)
S8327

>  <Name> (318)
KYA1797K

>  <Synonyms> (318)
N/A

>  <Target> (318)
Wnt/beta-catenin

>  <Form> (318)
potassium salt

>  <CAS> (318)
1956356-56-1

>  <URL> (318)
http://www.selleckchem.com/products/kya1797k.html

$$$$
BAY-61-3606.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (319)
320

>  <Formula> (319)
C20H20Cl2N6O3

>  <MolWeight> (319)
463.3172

>  <Cat> (319)
S7006

>  <Name> (319)
BAY-61-3606

>  <Synonyms> (319)
N/A

>  <Target> (319)
Syk

>  <Form> (319)
dihydrochloride

>  <CAS> (319)
648903-57-5

>  <URL> (319)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
LOXO-101.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (320)
321

>  <Formula> (320)
C21H24F2N6O6S

>  <MolWeight> (320)
526.5136664

>  <Cat> (320)
S7960

>  <Name> (320)
LOXO-101(sulfate)

>  <Synonyms> (320)
N/A

>  <Target> (320)
Trk receptor

>  <Form> (320)
sulfate

>  <CAS> (320)
1223405-08-0

>  <URL> (320)
http://www.selleckchem.com/products/loxo-101.html

$$$$
LLY507.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (321)
322

>  <Formula> (321)
C36H42N6O

>  <MolWeight> (321)
574.75828

>  <Cat> (321)
S7575

>  <Name> (321)
LLY-507

>  <Synonyms> (321)
N/A

>  <Target> (321)
Histone Methyltransferase

>  <Form> (321)
Free Base

>  <CAS> (321)
1793053-37-8

>  <URL> (321)
http://www.selleckchem.com/products/lly-507.html

$$$$
CPI-637.cdx
csChFnd80/08122210532D

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N/A

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Bcl-2

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Free Base

>  <CAS> (323)
1909226-00-1

>  <URL> (323)
http://www.selleckchem.com/products/bda-366.html

$$$$
untitled.cdx
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$$$$
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M  END
>  <Mol_ID> (325)
326

>  <Formula> (325)
C26H24N8O2

>  <MolWeight> (325)
480.52116

>  <Cat> (325)
S8362

>  <Name> (325)
ARRY-380 (ONT-380)

>  <Synonyms> (325)
Tucatinib

>  <Target> (325)
HER2

>  <Form> (325)
Free Base

>  <CAS> (325)
937263-43-9

>  <URL> (325)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
CA-074 methyl ester.cdx
csChFnd80/08122210532D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 11  1  1  0  0  0
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 15 16  1  6  0  0  0
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 17 28  1  0  0  0  0
M  END
>  <Mol_ID> (326)
327

>  <Formula> (326)
C19H31N3O6

>  <MolWeight> (326)
397.46594

>  <Cat> (326)
S7420

>  <Name> (326)
CA-074 methyl ester (CA-074 Me)

>  <Synonyms> (326)
Cathepsin B Inhibitor IV

>  <Target> (326)
Cysteine Protease

>  <Form> (326)
Free Base

>  <CAS> (326)
147859-80-1

>  <URL> (326)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

$$$$
Etomoxir (Na salt).cdx
csChFnd80/08122210532D

 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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   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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 15 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
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M  END
>  <Mol_ID> (327)
328

>  <Formula> (327)
C15H18ClNaO4

>  <MolWeight> (327)
320.74379

>  <Cat> (327)
S8244

>  <Name> (327)
Etomoxir (Na salt)

>  <Synonyms> (327)
N/A

>  <Target> (327)
Transferase

>  <Form> (327)
sodium salt

>  <CAS> (327)
828934-41-4

>  <URL> (327)
http://www.selleckchem.com/products/etomoxir-na-salt.html

$$$$
THZ1.cdx
csChFnd80/08122210532D

 43 45  0  0  0  0  0  0  0  0999 V2000
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   23.7121   15.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (328)
329

>  <Formula> (328)
C31H30Cl3N7O2

>  <MolWeight> (328)
638.9746

>  <Cat> (328)
S7549

>  <Name> (328)
THZ1 2HCl

>  <Synonyms> (328)
N/A

>  <Target> (328)
CDK

>  <Form> (328)
dihydrochloride

>  <CAS> (328)
1604810-83-4(free base)

>  <URL> (328)
http://www.selleckchem.com/products/thz1.html

$$$$
EPZ020411.cdx
csChFnd80/08122210532D

 34 35  0  0  0  0  0  0  0  0999 V2000
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    8.6286   11.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2286   11.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5286   10.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2286    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   27.4593    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   27.4593    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
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  0  0  0  0
 20 19  1  1  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 20  1  0  0  0  0
 22 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (329)
330

>  <Formula> (329)
C25H40Cl2N4O3

>  <MolWeight> (329)
515.5161

>  <Cat> (329)
S7820

>  <Name> (329)
EPZ020411 2HCl

>  <Synonyms> (329)
N/A

>  <Target> (329)
Histone Methyltransferase

>  <Form> (329)
dihydrochloride

>  <CAS> (329)
1700663-41-7(free base)

>  <URL> (329)
http://www.selleckchem.com/products/epz020411.html

$$$$
1400W.cdx
csChFnd80/08122210532D

 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> (330)
331

>  <Formula> (330)
C10H17Cl2N3

>  <MolWeight> (330)
250.16808

>  <Cat> (330)
S8337

>  <Name> (330)
1400W 2HCl

>  <Synonyms> (330)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (330)
Others

>  <Form> (330)
dihydrochloride

>  <CAS> (330)
214358-33-5

>  <URL> (330)
http://www.selleckchem.com/products/1400w.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/08122210532D

 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
    3.1249   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (331)
332

>  <Formula> (331)
C21H25N7O

>  <MolWeight> (331)
391.4695

>  <Cat> (331)
S8456

>  <Name> (331)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (331)
N/A

>  <Target> (331)
PI3K

>  <Form> (331)
Free Base

>  <CAS> (331)
1383716-46-8

>  <URL> (331)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/08122210532D

 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
 17 22  1  0  0  0  0
 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> (332)
333

>  <Formula> (332)
C14H17Cl2N5O4S

>  <MolWeight> (332)
422.28688

>  <Cat> (332)
S8457

>  <Name> (332)
UK-371804 HCl

>  <Synonyms> (332)
UK-371804 HCl

>  <Target> (332)
Serine Protease

>  <Form> (332)
hydrochloride

>  <CAS> (332)
256476-36-5

>  <URL> (332)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
Thiomyristoyl.cdx
csChFnd80/08122210532D

 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
    9.6995    2.8000    0.0000 C   0  0  2  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
    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
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    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
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    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
    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
   10.9119   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 40  1  0  0  0  0
 27 41  2  0  0  0  0
M  END
>  <Mol_ID> (333)
334

>  <Formula> (333)
C34H51N3O3S

>  <MolWeight> (333)
581.85204

>  <Cat> (333)
S8245

>  <Name> (333)
Thiomyristoyl

>  <Synonyms> (333)
TM

>  <Target> (333)
Sirtuin

>  <Form> (333)
Free Base

>  <CAS> (333)
1429749-41-6

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

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/08122210532D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (334)
335

>  <Formula> (334)
C30H42N8O3

>  <MolWeight> (334)
562.70628

>  <Cat> (334)
S8412

>  <Name> (334)
ASP8273 (Naquotinib)

>  <Synonyms> (334)
N/A

>  <Target> (334)
EGFR

>  <Form> (334)
Free Base

>  <CAS> (334)
1448232-80-1

>  <URL> (334)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/08122210532D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (335)
336

>  <Formula> (335)
C23H28N8O

>  <MolWeight> (335)
432.52142

>  <Cat> (335)
S7992

>  <Name> (335)
LDC4297 (LDC044297)

>  <Synonyms> (335)
N/A

>  <Target> (335)
CDK

>  <Form> (335)
Free Base

>  <CAS> (335)
1453834-21-3

>  <URL> (335)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (336)
337

>  <Formula> (336)
C25H23ClN6O3

>  <MolWeight> (336)
490.94152

>  <Cat> (336)
S8166

>  <Name> (336)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (336)
N/A

>  <Target> (336)
BTK

>  <Form> (336)
hydrochloride

>  <CAS> (336)
1439901-97-9

>  <URL> (336)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/08122210532D

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Nazartinib (EGF816, NVS-816)

>  <Synonyms> (337)
N/A

>  <Target> (337)
EGFR

>  <Form> (337)
Free Base

>  <CAS> (337)
1508250-71-2

>  <URL> (337)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
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PD-166866

>  <Synonyms> (338)
N/A

>  <Target> (338)
FGFR

>  <Form> (338)
Free Base

>  <CAS> (338)
192705-79-6

>  <URL> (338)
http://www.selleckchem.com/products/pd-166866.html

$$$$
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BLU-554

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N/A

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FGFR

>  <Form> (339)
Free Base

>  <CAS> (339)
1707289-21-1

>  <URL> (339)
http://www.selleckchem.com/products/blu-554.html

$$$$
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PARP

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>  <CAS> (340)
1262417-51-5

>  <URL> (340)
http://www.selleckchem.com/products/nms-p118.html

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Free Base

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1910124-24-1

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

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ROCK

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817194-38-0

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http://www.selleckchem.com/products/gsk180736a.html

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N/A

>  <Target> (343)
GLUT

>  <Form> (343)
Free Base

>  <CAS> (343)
1799753-84-6

>  <URL> (343)
http://www.selleckchem.com/products/bay-876.html

$$$$
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Cl-amidine

>  <Synonyms> (344)
N/A

>  <Target> (344)
Immunology & Inflammation related

>  <Form> (344)
trifluoroacetate

>  <CAS> (344)
1043444-18-3

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

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1629268-00-3

>  <URL> (345)
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N/A

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SUV420H1,SUV420H2

>  <Form> (346)
free base

>  <CAS> (346)
1982372-88-2

>  <URL> (346)
http://www.selleckchem.com/products/a-196.html

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SGC2085.cdx
csChFnd80/08122210532D

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N/A

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CARM1

>  <Form> (347)
free base

>  <CAS> (347)
1821908-48-8

>  <URL> (347)
http://www.selleckchem.com/products/sgc2085.html

$$$$
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>  <Formula> (348)
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>  <Name> (348)
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>  <Synonyms> (348)
N/A

>  <Target> (348)
DPP-4

>  <Form> (348)
free base
free base

>  <CAS> (348)
1226781-44-7

>  <URL> (348)
http://www.selleckchem.com/products/omarigliptin-mk-3102.html

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csChFnd80/08122210532D

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>  <CAS> (349)
866028-26-4

>  <URL> (349)
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1693758-51-8

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free base

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1693758-51-8

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http://www.selleckchem.com/products/8-oh-dpat-8-hydroxy-dpat.html

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FX1.cdx
csChFnd80/08122210532D

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free base

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1426138-42-2

>  <URL> (352)
http://www.selleckchem.com/products/fx1.html

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Tofogliflozin(CSG 452).cdx
csChFnd80/08122210532D

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N/A

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hSGLT2

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hydrate 

>  <CAS> (353)
1201913-82-7

>  <URL> (353)
http://www.selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
GSK'872 (GSK2399872A).cdx
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355

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RIP3K

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1346546-69-7

>  <URL> (354)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
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http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

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FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

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free base

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1802929-43-6

>  <URL> (356)
http://www.selleckchem.com/products/prn1371.html

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PHGDH

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free base

>  <CAS> (357)
1916571-90-8

>  <URL> (357)
http://www.selleckchem.com/products/nct-503.html

$$$$
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SGLT2 

>  <Form> (358)
free base

>  <CAS> (358)
761423-87-4

>  <URL> (358)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
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360

>  <Formula> (359)
C20H14ClN3O2

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>  <Cat> (359)
S8632

>  <Name> (359)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (359)
N/A

>  <Target> (359)
Chk2

>  <Form> (359)
free base

>  <CAS> (359)
516480-79-8

>  <URL> (359)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (360)
361

>  <Formula> (360)
C22H27N7O2S

>  <MolWeight> (360)
453.56048

>  <Cat> (360)
S8534

>  <Name> (360)
LY3214996

>  <Synonyms> (360)
N/A

>  <Target> (360)
ERK1,ERK2

>  <Form> (360)
free base

>  <CAS> (360)
1951483-29-6

>  <URL> (360)
http://www.selleckchem.com/products/ly3214996.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/08122210532D

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362

>  <Formula> (361)
C12H8ClI

>  <MolWeight> (361)
314.54939

>  <Cat> (361)
S8639

>  <Name> (361)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (361)
N/A

>  <Target> (361)
NADPH oxidase

>  <Form> (361)
chloride

>  <CAS> (361)
4673-26-1

>  <URL> (361)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
GNF-6231.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (362)
363

>  <Formula> (362)
C24H25FN6O2

>  <MolWeight> (362)
448.4927032

>  <Cat> (362)
S8644

>  <Name> (362)
GNF-6231

>  <Synonyms> (362)
N/A

>  <Target> (362)
Porcupine

>  <Form> (362)
free base

>  <CAS> (362)
1243245-18-2

>  <URL> (362)
http://www.selleckchem.com/products/gnf-6231.html

$$$$
ACY-738.cdx
csChFnd80/08122210532D

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364

>  <Formula> (363)
C14H14N4O2

>  <MolWeight> (363)
270.28656

>  <Cat> (363)
S8648

>  <Name> (363)
ACY-738

>  <Synonyms> (363)
N/A

>  <Target> (363)
HDAC6

>  <Form> (363)
free base

>  <CAS> (363)
1375465-91-0

>  <URL> (363)
http://www.selleckchem.com/products/acy-738.html

$$$$
FM-381.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (368)
369

>  <Formula> (368)
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>  <MolWeight> (368)
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IPI-3063

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N/A

>  <Target> (368)
p110¦Ä

>  <Form> (368)
free base

>  <CAS> (368)
1425043-73-7

>  <URL> (368)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
PF-06651600.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (369)
370

>  <Formula> (369)
C15H19N5O

>  <MolWeight> (369)
285.34426

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S8538

>  <Name> (369)
PF-06651600

>  <Synonyms> (369)
N/A

>  <Target> (369)
JAK3 

>  <Form> (369)
free base

>  <CAS> (369)
1792180-81-4

>  <URL> (369)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
UNC0642.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (370)
371

>  <Formula> (370)
C29H44F2N6O2

>  <MolWeight> (370)
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>  <Name> (370)
UNC0642

>  <Synonyms> (370)
N/A

>  <Target> (370)
G9a,GLP

>  <Form> (370)
free base

>  <CAS> (370)
1481677-78-4

>  <URL> (370)
http://www.selleckchem.com/products/unc0642.html

$$$$
SHP099.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (371)
372

>  <Formula> (371)
C16H20Cl3N5

>  <MolWeight> (371)
388.7225

>  <Cat> (371)
S8278

>  <Name> (371)
SHP099 hydrochloride

>  <Synonyms> (371)
N/A

>  <Target> (371)
phosphatase

>  <Form> (371)
hydrochloride 

>  <CAS> (371)
1801747-42-1(free base)

>  <URL> (371)
http://selleckchem.com/products/shp099-dihydrochloride.html

$$$$
S5063 Trelagliptin succinate.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (372)
373

>  <Formula> (372)
C22H26FN5O6

>  <MolWeight> (372)
475.4701432

>  <Cat> (372)
S5063

>  <Name> (372)
Trelagliptin succinate

>  <Synonyms> (372)
N/A

>  <Target> (372)
DPP-4

>  <Form> (372)
succinate

>  <CAS> (372)
1029877-94-8

>  <URL> (372)
http://selleckchem.com/products/trelagliptin-succinate.html

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/08122210532D

 36 37  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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  7 13  2  0  0  0  0
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 20 23  1  0  0  0  0
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 25 29  1  0  0  0  0
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 28 32  1  1  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (373)
374

>  <Formula> (373)
C23H38N6O6S

>  <MolWeight> (373)
526.64942

>  <Cat> (373)
S5074

>  <Name> (373)
Argatroban Monohydrate

>  <Synonyms> (373)
Argatroban hydrate, Argipidine

>  <Target> (373)
Thrombin

>  <CAS> (373)
141396-28-3

>  <URL> (373)
http://selleckchem.com/products/argatroban-monohydrate.html

$$$$
S5079 Sitagliptin.cdx
csChFnd80/08122210532D

 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
   12.1394    4.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5129    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6632    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
 12  2  1  0  0  0  0
  9  3  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  1  0  0  0  0
 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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 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
 27 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  1  0  0  0
M  END
>  <Mol_ID> (374)
375

>  <Formula> (374)
C16H15F6N5O

>  <MolWeight> (374)
407.3136192

>  <Cat> (374)
S5079

>  <Name> (374)
Sitagliptin

>  <Synonyms> (374)
MK-0431

>  <Target> (374)
DPP-4

>  <Form> (374)
free base

>  <CAS> (374)
486460-32-6

>  <URL> (374)
http://selleckchem.com/products/sitagliptin.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/08122210532D

 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
    6.5684    2.0426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3263    3.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1360    0.0000    0.0000 S   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
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  8  9  1  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
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M  END
>  <Mol_ID> (375)
376

>  <Formula> (375)
C18H13BrN2O4S2

>  <MolWeight> (375)
465.34082

>  <Cat> (375)
S8652

>  <Name> (375)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (375)
N/A

>  <Target> (375)
CDK

>  <CAS> (375)
432001-69-9

>  <URL> (375)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/08122210532D

 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
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 29 30  2  0  0  0  0
 30 12  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (376)
377

>  <Formula> (376)
C23H18FN5O2

>  <MolWeight> (376)
415.4197232

>  <Cat> (376)
S8672

>  <Name> (376)
Tenalisib (RP6530)

>  <Synonyms> (376)
N/A

>  <Target> (376)
PI3K

>  <Form> (376)
free base

>  <CAS> (376)
1639417-53-0

>  <URL> (376)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/08122210532D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (377)
378

>  <Formula> (377)
C20H20FKN6O5

>  <MolWeight> (377)
482.5067032

>  <Cat> (377)
S5245

>  <Name> (377)
Raltegravir potassium

>  <Synonyms> (377)
N/A

>  <Target> (377)
Integrase,HIV Protease

>  <Form> (377)
potassium salt

>  <CAS> (377)
871038-72-1

>  <URL> (377)
http://selleckchem.com/products/raltegravir-potassium.html

$$$$
Cu-CPT22.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (378)
379

>  <Formula> (378)
C19H22O7

>  <MolWeight> (378)
362.37378

>  <Cat> (378)
S8677

>  <Name> (378)
Cu-CPT22

>  <Synonyms> (378)
N/A

>  <Target> (378)
TLR

>  <Form> (378)
free base

>  <CAS> (378)
1416324-85-0

>  <URL> (378)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/08122210532D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (379)
380

>  <Formula> (379)
C26H27N3O5S

>  <MolWeight> (379)
493.57468

>  <Cat> (379)
S5402

>  <Synonyms> (379)
N/A

>  <Target> (379)
HCV Protease

>  <Form> (379)
free base

>  <CAS> (379)
1132935-63-7

>  <URL> (379)
http://selleckchem.com/products/dasabuvir-abt-333.html

$$$$
AZD1390.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (380)
381

>  <Formula> (380)
C27H32FN5O2

>  <MolWeight> (380)
477.5736832

>  <Cat> (380)
S8680

>  <Name> (380)
AZD1390

>  <Synonyms> (380)
N/A

>  <Target> (380)
ATM/ATR

>  <Form> (380)
free base

>  <CAS> (380)
2089288-03-7

>  <URL> (380)
http://selleckchem.com/products/azd1390.html

$$$$
GSK'963.cdx
csChFnd80/08122210532D

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GSK'963

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N/A

>  <Target> (381)
NF-¦ÊB,TNF-alpha

>  <Form> (381)
free base

>  <CAS> (381)
2049868-46-2

>  <URL> (381)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/08122210532D

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383

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>  <MolWeight> (382)
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>  <Name> (382)
bpV (HOpic)

>  <Synonyms> (382)
Bisperoxovanadium(HOpic)

>  <Target> (382)
PTEN

>  <Form> (382)
potassium 

>  <CAS> (382)
722494-26-0

>  <URL> (382)
http://selleckchem.com/products/bpv-hopic.html

$$$$
FGF401.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (383)
384

>  <Formula> (383)
C25H30N8O4

>  <MolWeight> (383)
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>  <Cat> (383)
S8548

>  <Name> (383)
FGF401

>  <Synonyms> (383)
N/A

>  <Target> (383)
FGFR

>  <Form> (383)
free base

>  <CAS> (383)
1708971-55-4

>  <URL> (383)
http://selleckchem.com/products/fgf401.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/08122210532D

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>  <Mol_ID> (384)
385

>  <Formula> (384)
C24H24F3N5O5S3

>  <MolWeight> (384)
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>  <Cat> (384)
S5069

>  <Name> (384)
Dabrafenib Mesylate

>  <Synonyms> (384)
GSK2118436 Mesylate

>  <Target> (384)
Raf

>  <Form> (384)
mesylate

>  <CAS> (384)
1195768-06-9

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

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
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1210344-57-2

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M  END
>  <Mol_ID> (389)
390

>  <Formula> (389)
C32H31BrN2O2

>  <MolWeight> (389)
555.50474

>  <Cat> (389)
S5623

>  <Name> (389)
Bedaquiline

>  <Synonyms> (389)
TMC207; R207910

>  <Target> (389)
tuberculosis

>  <Form> (389)
free base

>  <CAS> (389)
843663-66-1

>  <URL> (389)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/08122210532D

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>  <Mol_ID> (390)
391

>  <Formula> (390)
C30H34N8O3

>  <MolWeight> (390)
554.64276

>  <Cat> (390)
S8724

>  <Name> (390)
Lazertinib (YH25448,GNS-1480)

>  <Form> (390)
free base

>  <CAS> (390)
1903008-80-9

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/08122210532D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (391)
392

>  <Formula> (391)
C8H6N2O

>  <MolWeight> (391)
146.14604

>  <Cat> (391)
S9360

>  <Name> (391)
4-Hydroxyquinazoline

>  <Form> (391)
free base

>  <CAS> (391)
491-36-1

$$$$

csChFnd80/08122210532D

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M  END
>  <Mol_ID> (392)
393

>  <Formula> (392)
C9H12N2O4S

>  <MolWeight> (392)
244.26758

>  <Cat> (392)
S5837

>  <Name> (392)
BRL-50481

>  <Synonyms> (392)
N/A

>  <Target> (392)
PDE

>  <Form> (392)
Free Base

>  <CAS> (392)
433695-36-4

>  <URL> (392)
http://www.selleckchem.com/products/brl-50481.html

$$$$

csChFnd80/08122210532D

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 45 50  1  0  0  0  0
 50 51  1  0  0  0  0
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M  END
>  <Mol_ID> (393)
394

>  <Formula> (393)
C48H52F2O11S2

>  <MolWeight> (393)
907.0466864

>  <Cat> (393)
S5901

>  <Name> (393)
Canagliflozin hemihydrate

>  <Synonyms> (393)
N/A

>  <Target> (393)
SGLT

>  <Form> (393)
hemihydrate

>  <CAS> (393)
928672-86-0

>  <URL> (393)
http://www.selleckchem.com/products/canagliflozin-hemihydrate.html

$$$$

csChFnd80/08122210532D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (394)
395

>  <Formula> (394)
C16H15N3O3

>  <MolWeight> (394)
297.3086

>  <Cat> (394)
S5903

>  <Name> (394)
JANEX-1

>  <Synonyms> (394)
WHI-P131

>  <Target> (394)
JAK

>  <Form> (394)
Free Base

>  <CAS> (394)
202475-60-3

>  <URL> (394)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/08122210532D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   15.4349    1.5035    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  1  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 10  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 27 28  3  0  0  0  0
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 15 18  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (395)
396

>  <Formula> (395)
C19H25N7O2

>  <MolWeight> (395)
383.4475

>  <Cat> (395)
S5909

>  <Name> (395)
Anagliptin

>  <Synonyms> (395)
N/A

>  <Target> (395)
DPP-4

>  <Form> (395)
Free Base

>  <CAS> (395)
739366-20-2

>  <URL> (395)
http://www.selleckchem.com/products/anagliptin.html

$$$$

csChFnd80/08122210532D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 19 21  1  0  0  0  0
 12 27  2  0  0  0  0
 13 28  1  0  0  0  0
 16 29  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (396)
397

>  <Formula> (396)
C22H26N4O3

>  <MolWeight> (396)
394.46684

>  <Cat> (396)
S5916

>  <Name> (396)
GSK 5959

>  <Synonyms> (396)
N/A

>  <Target> (396)
Epigenetic Reader Do

>  <Form> (396)
Free Base

>  <CAS> (396)
901245-65-6

>  <URL> (396)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

csChFnd80/08122210532D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
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 11 12  1  0  0  0  0
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 10 11  1  0  0  0  0
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 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> (397)
398

>  <Formula> (397)
C17H27Cl2NO

>  <MolWeight> (397)
332.30838

>  <Cat> (397)
S5926

>  <Name> (397)
Pitolisant hydrochloride

>  <Synonyms> (397)
Tiprolisant hydrochloride, BF-2649 HCl

>  <Target> (397)
Histamine Receptor

>  <Form> (397)
hydrochloride

>  <CAS> (397)
903576-44-3

>  <URL> (397)
http://www.selleckchem.com/products/pitolisant-hydrochloride.html

$$$$

csChFnd80/08122210532D

 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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  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (398)
399

>  <Formula> (398)
C13H15N3O2S

>  <MolWeight> (398)
277.3421

>  <Cat> (398)
S5933

>  <Name> (398)
K 858

>  <Synonyms> (398)
N/A

>  <Target> (398)
Kinesin

>  <Form> (398)
Free Base

>  <CAS> (398)
72926-24-0

>  <URL> (398)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/08122210532D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
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 17 18  1  0  0  0  0
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 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
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 25 26  2  0  0  0  0
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (399)
400

>  <Formula> (399)
C25H32N2O4

>  <MolWeight> (399)
424.53258

>  <Cat> (399)
S5935

>  <Name> (399)
Alvimopan

>  <Synonyms> (399)
LY 246736, ADL 8-2698

>  <Target> (399)
Opioid Receptor

>  <Form> (399)
Free Base

>  <CAS> (399)
156053-89-3

>  <URL> (399)
http://www.selleckchem.com/products/alvimopan.html

$$$$

csChFnd80/08122210532D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (400)
401

>  <Formula> (400)
C24H28N4O3

>  <MolWeight> (400)
420.50412

>  <Cat> (400)
S8556

>  <Name> (400)
AZ31

>  <Synonyms> (400)
N/A

>  <Target> (400)
ATM/ATR

>  <Form> (400)
Free Base

>  <CAS> (400)
2088113-98-6

>  <URL> (400)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/08122210532D

 22 26  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0  0  0  0
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M  END
>  <Mol_ID> (401)
402

>  <Formula> (401)
C16H15FN4O

>  <MolWeight> (401)
298.3149032

>  <Cat> (401)
S8592

>  <Name> (401)
Pamiparib (BGB-290)

>  <Synonyms> (401)
N/A

>  <Target> (401)
PARP

>  <Form> (401)
Free Base

>  <CAS> (401)
1446261-44-4

>  <URL> (401)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/08122210532D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (402)
403

>  <Formula> (402)
C13H12ClN3O2

>  <MolWeight> (402)
277.70628

>  <Cat> (402)
S8641

>  <Name> (402)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (402)
Necrostatin-1 stable

>  <Target> (402)
TNF-alpha

>  <Form> (402)
Free Base

>  <CAS> (402)
852391-15-2

>  <URL> (402)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/08122210532D

 27 29  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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M  END
>  <Mol_ID> (403)
404

>  <Formula> (403)
C18H18FN5O2S

>  <MolWeight> (403)
387.4312232

>  <Cat> (403)
S8727

>  <Name> (403)
Atuveciclib (BAY-1143572)

>  <Synonyms> (403)
N/A

>  <Target> (403)
CDK

>  <Form> (403)
Free Base

>  <CAS> (403)
1414943-88-6

>  <URL> (403)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/08122210532D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (404)
405

>  <Formula> (404)
C26H26FN7O2

>  <MolWeight> (404)
487.5287432

>  <Cat> (404)
S8741

>  <Name> (404)
Avitinib (AC0010)

>  <Synonyms> (404)
N/A

>  <Target> (404)
EGFR

>  <Form> (404)
Free Base

>  <CAS> (404)
1557267-42-1

>  <URL> (404)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/08122210532D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 33 35  1  0  0  0  0
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M  END
>  <Mol_ID> (405)
406

>  <Formula> (405)
C25H25F3N4O4

>  <MolWeight> (405)
502.4856096

>  <Cat> (405)
S8745

>  <Name> (405)
LXH254

>  <Synonyms> (405)
N/A

>  <Target> (405)
Raf

>  <Form> (405)
Free Base

>  <CAS> (405)
1800398-38-2

>  <URL> (405)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/08122210532D

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M  END
>  <Mol_ID> (406)
407

>  <Formula> (406)
C43H42N4O6

>  <MolWeight> (406)
710.81678

>  <Cat> (406)
S8759

>  <Name> (406)
S55746 (S 055746,BCL201)

>  <Synonyms> (406)
N/A

>  <Target> (406)
Bcl-2

>  <Form> (406)
Free Base

>  <CAS> (406)
1448584-12-0

>  <URL> (406)
http://www.selleckchem.com/products/s55746-s055746-bcl201.html

$$$$
S5701 Alvimopan dihydrate.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (407)
408

>  <Formula> (407)
C25H36N2O6

>  <MolWeight> (407)
460.56314

>  <Cat> (407)
S5701

>  <Name> (407)
Alvimopan dihydrate

>  <Target> (407)
Others

>  <Form> (407)
free base

>  <CAS> (407)
170098-38-1 

>  <URL> (407)
http://selleckchem.com/products/.html

$$$$
S9500 Valbenazine tosylate.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (408)
409

>  <Formula> (408)
C38H54N2O10S2

>  <MolWeight> (408)
762.97276

>  <Cat> (408)
S9500

>  <Name> (408)
Valbenazine tosylate

>  <Form> (408)
free base

>  <CAS> (408)
1639208-54-0

$$$$
GI254023X.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (409)
410

>  <Formula> (409)
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>  <MolWeight> (409)
391.50442

>  <Cat> (409)
S8660

>  <Name> (409)
GI254023X

>  <Synonyms> (409)
GI 4023

>  <Target> (409)
Immunology & Inflammation related

>  <Form> (409)
free base

>  <CAS> (409)
260264-93-5

>  <URL> (409)
http://selleckchem.com/products/gi254023x.html

$$$$
S5476 Rolapitant.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (410)
411

>  <Formula> (410)
C25H26F6N2O2

>  <MolWeight> (410)
500.4765592

>  <Cat> (410)
S5476

>  <Name> (410)
Rolapitant

>  <Target> (410)
NK1-receptor

>  <CAS> (410)
552292-08-7

>  <URL> (410)
https://www.selleckchem.com/products/rolapitant.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (411)
412

>  <Formula> (411)
C21H19N3O5

>  <MolWeight> (411)
393.39266

>  <Cat> (411)
S5667

>  <Name> (411)
Fruquintinib

>  <Target> (411)
VEGFRs

>  <CAS> (411)
1194506-26-7

>  <URL> (411)
https://www.selleckchem.com/products/fruquintinib.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/08122210532D

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M  END
>  <Mol_ID> (412)
413

>  <Formula> (412)
C20H21N3O2

>  <MolWeight> (412)
335.39964

>  <Cat> (412)
S8049

>  <Name> (412)
Tubastatin A

>  <Target> (412)
others

>  <CAS> (412)
1252003-15-8

>  <URL> (412)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/08122210532D

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>  <Formula> (413)
C29H37N7O5S

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>  <Name> (413)
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EGFR

>  <Form> (413)
mesylate

>  <CAS> (413)
1421373-66-1

>  <URL> (413)
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415

>  <Formula> (414)
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N/A

>  <Target> (414)
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>  <Form> (414)
Free Base

>  <CAS> (414)
315705-75-0

>  <URL> (414)
http://www.selleckchem.com/products/jnj0966.html

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416

>  <Formula> (415)
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MAO

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Free Base

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136236-51-6

>  <URL> (415)
http://www.selleckchem.com/products/rasagiline.html

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417

>  <Formula> (416)
C21H16FN7O

>  <MolWeight> (416)
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acalisib (GS-9820)

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PI3K

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>  <CAS> (416)
870281-34-8

>  <URL> (416)
http://www.selleckchem.com/products/acalisib-gs-9820.html

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418

>  <Formula> (417)
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>  <Synonyms> (417)
N/A

>  <Target> (417)
Immunology & Inflamm

>  <Form> (417)
Free Base

>  <CAS> (417)
475085-57-5

>  <URL> (417)
http://www.selleckchem.com/products/mre-269-act-333679.html

$$$$

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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (418)
419

>  <Formula> (418)
C18H13F2N3O3S

>  <MolWeight> (418)
389.3759264

>  <Cat> (418)
S8776

>  <Name> (418)
WM-1119

>  <Synonyms> (418)
N/A

>  <Target> (418)
Histone Acetyltransf

>  <Form> (418)
Free Base

>  <CAS> (418)
2055397-28-7

>  <URL> (418)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/08122210532D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  7  1  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
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 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (419)
420

>  <Formula> (419)
C25H27N5O2

>  <MolWeight> (419)
429.51418

>  <Cat> (419)
S8777

>  <Name> (419)
Evobrutinib

>  <Synonyms> (419)
M-2951, MSC-2364447C

>  <Target> (419)
BTK

>  <Form> (419)
Free Base

>  <CAS> (419)
1415823-73-2

>  <URL> (419)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/08122210532D

 33 35  0  0  0  0  0  0  0  0999 V2000
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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  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 19 13  1  0  0  0  0
 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (420)
421

>  <Formula> (420)
C22H21F3N6O2

>  <MolWeight> (420)
458.4363496

>  <Cat> (420)
S8801

>  <Name> (420)
CC-90003

>  <Synonyms> (420)
N/A

>  <Target> (420)
ERK

>  <Form> (420)
Free Base

>  <CAS> (420)
1621999-82-3

>  <URL> (420)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/08122210532D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 12 22  2  0  0  0  0
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M  END
>  <Mol_ID> (421)
422

>  <Formula> (421)
C17H13ClN2O3

>  <MolWeight> (421)
328.74972

>  <Cat> (421)
S8813

>  <Name> (421)
LIT-927

>  <Synonyms> (421)
N/A

>  <Target> (421)
CXCR

>  <Form> (421)
Free Base

>  <CAS> (421)
2172879-52-4

>  <URL> (421)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/08122210532D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (422)
423

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c-Met

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free base

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1116743-46-4

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http://www.selleck.cn/products/sar125844.html

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>  <Formula> (423)
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>  <Synonyms> (423)
N/A

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Epigenetic Reader Do

>  <Form> (423)
free base

>  <CAS> (423)
1799711-21-9

>  <URL> (423)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/08122210532D

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>  <Form> (424)
free base

>  <CAS> (424)
2226735-55-1

>  <URL> (424)
http://www.selleck.cn/products/gsk547.html

$$$$

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1165910-22-4

>  <URL> (425)
http://www.selleck.cn/products/lgd-4033-vk-5211.html

$$$$

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   18.9212    3.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9027    4.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0912    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    1.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5019    2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 10 18  2  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 30  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (426)
427

>  <Formula> (426)
C27H27N7O2S

>  <MolWeight> (426)
513.61398

>  <Cat> (426)
S2684

>  <Name> (426)
CX-5461

>  <Synonyms> (426)
N/A

>  <Target> (426)
DNA/RNA Synthesis

>  <Form> (426)
Free Base

>  <CAS> (426)
1138549-36-6

>  <URL> (426)
http://www.selleck.cn/products/cx-5461.html

$$$$

csChFnd80/08122210532D

 42 46  0  0  0  0  0  0  0  0999 V2000
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   16.7993    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9994    6.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9994    3.6372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7993    8.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0993    7.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6994    7.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9994    8.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6994    9.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5995    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4997    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1997    6.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    4.8496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  3 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
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 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 31 36  2  0  0  0  0
 29 31  1  0  0  0  0
 30 37  2  0  0  0  0
 39 40  1  0  0  0  0
 38 39  1  0  0  0  0
 41 42  1  0  0  0  0
 38 41  1  0  0  0  0
 30 38  1  0  0  0  0
 26 29  1  0  0  0  0
 19 23  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (427)
428

>  <Formula> (427)
C34H36FN5O2

>  <MolWeight> (427)
565.6803432

>  <Cat> (427)
S6416

>  <Name> (427)
JNJ 31020028

>  <Synonyms> (427)
N/A

>  <Target> (427)
Others

>  <Form> (427)
Free Base

>  <CAS> (427)
1094873-14-9

>  <URL> (427)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/08122210532D

 40 44  0  0  0  0  0  0  0  0999 V2000
    3.1335    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    8.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4081    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3459    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7708    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6206    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
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  8  9  2  0  0  0  0
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 23 24  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  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
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 13  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
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 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (428)
429

>  <Formula> (428)
C31H39N7O2

>  <MolWeight> (428)
541.68706

>  <Cat> (428)
S7164

>  <Name> (428)
GSK343

>  <Synonyms> (428)
N/A

>  <Target> (428)
Histone Methyltransf

>  <Form> (428)
Free Base

>  <CAS> (428)
1346704-33-3

>  <URL> (428)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/08122210532D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.5035   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715   10.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    6.0622    2.1000    0.0000 C   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
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (429)
430

>  <Formula> (429)
C19H18N4O3

>  <MolWeight> (429)
350.37122

>  <Cat> (429)
S8684

>  <Name> (429)
Selective JAK3 inhibitor 1

>  <Synonyms> (429)
N/A

>  <Target> (429)
JAK

>  <Form> (429)
Free Base

>  <CAS> (429)
1443235-95-7

>  <URL> (429)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/08122210532D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504    6.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    5.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1025    6.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    8.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    7.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    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
  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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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 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> (430)
431

>  <Formula> (430)
C23H20FN7O

>  <MolWeight> (430)
429.4496032

>  <Cat> (430)
S8693

>  <Name> (430)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (430)
N/A

>  <Target> (430)
PI3K

>  <Form> (430)
Free Base

>  <CAS> (430)
2088525-31-7

>  <URL> (430)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/08122210532D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.8045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9045    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2045    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6371    3.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    4.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3045    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    4.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1045    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4045    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5045    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2045    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5045   10.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9294   10.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1418   10.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7169   12.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    5.5584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  3 10  1  6  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 12 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 12  1  0  0  0  0
 24 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 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 11 34  2  0  0  0  0
 11 35  1  0  0  0  0
M  END
>  <Mol_ID> (431)
432

>  <Formula> (431)
C27H29N5O3

>  <MolWeight> (431)
471.55086

>  <Cat> (431)
S8791

>  <Name> (431)
Zanubrutinib (BGB-3111)

>  <Synonyms> (431)
N/A

>  <Target> (431)
BTK

>  <Form> (431)
Free Base

>  <CAS> (431)
1691249-45-2

>  <URL> (431)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

csChFnd80/08122210532D

 38 42  0  0  0  0  0  0  0  0999 V2000
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    2.6124    8.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    8.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    9.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.0524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3126    4.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2494    3.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    3.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0514    4.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7535    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1129    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  4 10  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
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 20 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 25 26  1  0  0  0  0
 20 28  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 29 34  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
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M  END
>  <Mol_ID> (432)
433

>  <Formula> (432)
C29H24F3N5O

>  <MolWeight> (432)
515.5289696

>  <Cat> (432)
S6538

>  <Name> (432)
B-Raf IN 1

>  <Synonyms> (432)
N/A

>  <Target> (432)
Raf

>  <Form> (432)
free base

>  <CAS> (432)
950736-05-7

>  <URL> (432)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/08122210532D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (433)
434

>  <Formula> (433)
C28H28F3N5O4

>  <MolWeight> (433)
555.5482296

>  <Cat> (433)
S6545

>  <Name> (433)
BI-4464

>  <Synonyms> (433)
N/A

>  <Target> (433)
FAK

>  <Form> (433)
free base

>  <CAS> (433)
1227948-02-8

>  <URL> (433)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/08122210532D

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M  END
>  <Mol_ID> (434)
435

>  <Formula> (434)
C18H23ClN4O

>  <MolWeight> (434)
346.85442

>  <Cat> (434)
S8438

>  <Name> (434)
T-3775440 HCl

>  <Synonyms> (434)
N/A

>  <Target> (434)
Histone Demethylase

>  <Form> (434)
HCl

>  <CAS> (434)
1422535-52-1

>  <URL> (434)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/08122210532D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (435)
436

>  <Formula> (435)
C21H17N9O2S

>  <MolWeight> (435)
459.48378

>  <Cat> (435)
S8676

>  <Name> (435)
Glumetinib

>  <Synonyms> (435)
N/A

>  <Target> (435)
c-Met

>  <Form> (435)
free base

>  <CAS> (435)
1642581-63-2

>  <URL> (435)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/08122210532D

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M  END
>  <Mol_ID> (436)
437

>  <Formula> (436)
C31H34N4O2

>  <MolWeight> (436)
494.62726

>  <Cat> (436)
S8746

>  <Name> (436)
H3B-5942

>  <Synonyms> (436)
N/A

>  <Target> (436)
Estrogen/progestogen

>  <Form> (436)
free base

>  <CAS> (436)
2052128-15-9

>  <URL> (436)
http://www.selleck.cn/products/h3b-5942.html

$$$$

csChFnd80/08122210532D

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N/A

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c-Met

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free base

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943540-74-7

>  <URL> (437)
http://www.selleck.cn/products/jnj-38877618.html

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439

>  <Formula> (438)
C21H31N5O2

>  <MolWeight> (438)
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>  <Cat> (438)
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>  <Name> (438)
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>  <Synonyms> (438)
N/A

>  <Target> (438)
Serine/threonin kina

>  <Form> (438)
free base

>  <CAS> (438)
2328073-61-4

>  <URL> (438)
http://www.selleck.cn/products/zt-12-037-01.html

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440

>  <Formula> (439)
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>  <MolWeight> (439)
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>  <Cat> (439)
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>  <Name> (439)
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>  <Synonyms> (439)
N/A

>  <Target> (439)
Serine/threonin kina

>  <Form> (439)
free base

>  <CAS> (439)
2361659-62-1

>  <URL> (439)
http://www.selleck.cn/products/gsk8612.html

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>  <Mol_ID> (440)
441

>  <Formula> (440)
C14H15NO5S

>  <MolWeight> (440)
309.3376

>  <Cat> (440)
S6558

>  <Name> (440)
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>  <Synonyms> (440)
N/A

>  <Target> (440)
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>  <Form> (440)
Free Base

>  <CAS> (440)
288628-05-7

>  <URL> (440)
http://www.selleck.cn/products/irosustat.html

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2230820-11-6

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>  <CAS> (447)
1945950-21-9

>  <URL> (447)
http://www.selleck.cn/products/pdd00017273.html

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1472797-69-5

>  <URL> (448)
http://www.selleck.cn/products/ff-10101.html

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1562338-42-4

>  <URL> (449)
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   12.1752    2.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5453    2.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
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 22 23  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (450)
451

>  <Formula> (450)
C25H20N4O2

>  <MolWeight> (450)
408.4519

>  <Cat> (450)
S6658

>  <Name> (450)
ETC-206

>  <Synonyms> (450)
ETC-1907206

>  <Target> (450)
MNK

>  <Form> (450)
Free Base

>  <CAS> (450)
1464151-33-4

>  <URL> (450)
http://www.selleck.cn/products/etc-206.html

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csChFnd80/08122210532D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
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452

>  <Formula> (451)
C10H7IN2

>  <MolWeight> (451)
282.08045

>  <Cat> (451)
S2643

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4-IPP

>  <Synonyms> (451)
4-Iodo-6-phenylpyrimidine

>  <Target> (451)
Immunology & Inflammation related

>  <Form> (451)
Free Base

>  <CAS> (451)
41270-96-6

>  <URL> (451)
http://www.selleck.cn/products/4-ipp.html

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csChFnd80/08122210532D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    3.6350    4.2033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  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  9  2  0  0  0  0
  7 10  1  0  0  0  0
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>  <Mol_ID> (452)
453

>  <Formula> (452)
C12H11N3O

>  <MolWeight> (452)
213.23524

>  <Cat> (452)
S2645

>  <Name> (452)
SIB 1757

>  <Synonyms> (452)
N/A

>  <Target> (452)
GluR

>  <Form> (452)
Free Base

>  <CAS> (452)
31993-01-8

>  <URL> (452)
http://www.selleck.cn/products/sib-1757.html

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csChFnd80/08122210532D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  5 12  1  0  0  0  0
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 10 11  1  0  0  0  0
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>  <Mol_ID> (453)
454

>  <Formula> (453)
C18H16Cl2N4O2

>  <MolWeight> (453)
391.25124

>  <Cat> (453)
S8944

>  <Name> (453)
G150

>  <Synonyms> (453)
N/A

>  <Target> (453)
Others

>  <Form> (453)
Free Base

>  <CAS> (453)
2369751-30-2

>  <URL> (453)
http://www.selleck.cn/products/g150.html

$$$$

csChFnd80/08122210532D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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 20 21  1  0  0  0  0
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  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (454)
455

>  <Formula> (454)
C15H11ClF3NO

>  <MolWeight> (454)
313.7021496

>  <Cat> (454)
S8951

>  <Name> (454)
TED-347

>  <Synonyms> (454)
N/A

>  <Target> (454)
Hippo pathway

>  <Form> (454)
Free Base

>  <CAS> (454)
2378626-29-8

>  <URL> (454)
http://www.selleckchem.com/products/ted-347.html

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csChFnd80/08122210532D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  3  6  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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 16 17  1  0  0  0  0
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 21 24  1  0  0  0  0
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456

>  <Formula> (455)
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>  <Synonyms> (455)
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COX

>  <Form> (455)
Free Base

>  <CAS> (455)
188817-13-2

>  <URL> (455)
http://www.selleckchem.com/products/sc-560.html

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csChFnd80/08122210532D

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>  <Mol_ID> (456)
457

>  <Formula> (456)
C11H15N3O2S

>  <MolWeight> (456)
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>  <Cat> (456)
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>  <Name> (456)
Verdiperstat

>  <Target> (456)
Peroxidases

>  <Form> (456)
free base

>  <CAS> (456)
890655-80-8

>  <URL> (456)
http://www.selleckchem.com/products/verdiperstat.html

$$$$

csChFnd80/08122210532D

 32 34  0  0  0  0  0  0  0  0999 V2000
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458

>  <Formula> (457)
C22H22F3N3O4

>  <MolWeight> (457)
449.4229896

>  <Cat> (457)
S0709

>  <Name> (457)
Tubastatin A TFA

>  <Target> (457)
HDAC

>  <Form> (457)
trifluoroacetate

>  <CAS> (457)
1239262-52-2

>  <URL> (457)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

csChFnd80/08122210532D

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459

>  <Formula> (458)
C25H27N5O2

>  <MolWeight> (458)
429.51418

>  <Cat> (458)
S8574

>  <Name> (458)
BI 894999

>  <Target> (458)
Epigenetic Reader Do

>  <Form> (458)
free base

>  <CAS> (458)
1660117-38-3

>  <URL> (458)
http://www.selleckchem.com/products/bi894999.html

$$$$

csChFnd80/08122210532D

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460

>  <Formula> (459)
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>  <MolWeight> (459)
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>  <Cat> (459)
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free base

>  <CAS> (459)
2247481-21-4

>  <URL> (459)
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    4.8413    9.0879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   12.5854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   13.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   13.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   14.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   15.3757    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
  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> (460)
461

>  <Formula> (460)
C26H25N3O3

>  <MolWeight> (460)
427.495

>  <Cat> (460)
S9600

>  <Name> (460)
Orelabrutinib

>  <Target> (460)
BTK

>  <Form> (460)
free base

>  <CAS> (460)
1655504-04-3

>  <URL> (460)
http://www.selleckchem.com/products/orelabrutinib.html

$$$$

csChFnd80/08122210532D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    5.0101    8.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3770    7.3566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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
  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> (461)
462

>  <Formula> (461)
C21H25N5O2

>  <MolWeight> (461)
379.4555

>  <Cat> (461)
S9694

>  <Name> (461)
MLi-2

>  <Target> (461)
Others

>  <Form> (461)
free base

>  <CAS> (461)
1627091-47-7

>  <URL> (461)
http://www.selleckchem.com/products/mli-2.html

$$$$

csChFnd80/08122210532D

 25 28  0  0  0  0  0  0  0  0999 V2000
   13.4266    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0016    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3643    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  6  0  0  0
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 10  3  1  1  0  0  0
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  4 21  1  0  0  0  0
  5 19  1  0  0  0  0
  5 21  2  0  0  0  0
  6 25  3  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  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
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (462)
463

>  <Formula> (462)
C19H23N5O

>  <MolWeight> (462)
337.41882

>  <Cat> (462)
S0008

>  <Name> (462)
IRAK4-IN-1

>  <Synonyms> (462)
Compound 23

>  <Target> (462)
IRAK

>  <Form> (462)
Free Base

>  <CAS> (462)
1820787-94-7

>  <URL> (462)
http://www.selleckchem.com/products/irak4-in-1.html

$$$$

csChFnd80/08122210532D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   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
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   10.0355    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 15  2  0  0  0  0
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  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
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 21 22  1  0  0  0  0
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 24 25  2  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> (463)
464

>  <Formula> (463)
C23H25N3O4S2

>  <MolWeight> (463)
471.5923

>  <Cat> (463)
S0050

>  <Name> (463)
ML277

>  <Synonyms> (463)
CID-53347902

>  <Target> (463)
Potassium Channel

>  <Form> (463)
Free Base

>  <CAS> (463)
1401242-74-7

>  <URL> (463)
http://www.selleckchem.com/products/ml277.html

$$$$

csChFnd80/08122210532D

 35 37  0  0  0  0  0  0  0  0999 V2000
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   12.1334    4.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (464)
465

>  <Formula> (464)
C21H17F4N2O7P

>  <MolWeight> (464)
516.3362538

>  <Cat> (464)
S1335

>  <Name> (464)
VX-150

>  <Synonyms> (464)
EOS-62073

>  <Target> (464)
Sodium Channel

>  <Form> (464)
Free Base

>  <CAS> (464)
1793080-72-4

>  <URL> (464)
http://www.selleckchem.com/products/vx-150.html

$$$$

csChFnd80/08122210532D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    2.4248   10.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374   12.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498   13.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 19  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 26  3  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (465)
466

>  <Formula> (465)
C21H19N3O2

>  <MolWeight> (465)
345.39446

>  <Cat> (465)
S4462

>  <Name> (465)
CYM-5520

>  <Synonyms> (465)
N/A

>  <Target> (465)
S1P Receptor

>  <Form> (465)
Free Base

>  <CAS> (465)
1449747-00-5

>  <URL> (465)
http://www.selleckchem.com/products/cym-5520.html

$$$$

csChFnd80/08122210532D

 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
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    4.8626    4.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7099    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4 12  2  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  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
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (466)
467

>  <Formula> (466)
C15H11Cl2NO4

>  <MolWeight> (466)
340.15814

>  <Cat> (466)
S6070

>  <Name> (466)
CBA (TRPM4-IN-5)

>  <Synonyms> (466)
Compound 5, TRPM4 inhibitor 5

>  <Target> (466)
TRP Channel

>  <Form> (466)
Free Base

>  <CAS> (466)
351424-20-9

>  <URL> (466)
http://www.selleckchem.com/products/cba-trpm4-in-1.html

$$$$

csChFnd80/08122210532D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8498    6.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.3882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    4.9148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2570    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    4.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 15  2  0  0  0  0
  5 21  3  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (467)
468

>  <Formula> (467)
C16H14N4O

>  <MolWeight> (467)
278.30856

>  <Cat> (467)
S6389

>  <Name> (467)
CPI-455

>  <Synonyms> (467)
N/A

>  <Target> (467)
Histone Demethylase

>  <Form> (467)
Free Base

>  <CAS> (467)
1628208-23-0

>  <URL> (467)
http://www.selleckchem.com/products/cpi-455.html

$$$$

csChFnd80/08122210532D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.4576    3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6728    4.1108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4956    5.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4572    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6344    2.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2421    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1284    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  2  3  1  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
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
  9 16  1  0  0  0  0
  1 11  1  0  0  0  0
  1 23  2  0  0  0  0
M  END
>  <Mol_ID> (468)
469

>  <Formula> (468)
C19H23ClN2O

>  <MolWeight> (468)
330.85172

>  <Cat> (468)
S6943

>  <Name> (468)
IU1-47

>  <Synonyms> (468)
N/A

>  <Target> (468)
DUB

>  <Form> (468)
Free Base

>  <CAS> (468)
670270-31-2

>  <URL> (468)
http://www.selleckchem.com/products/iu1-47.html

$$$$

csChFnd80/08122210532D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.3923    4.3373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7238    2.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    3.6373    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7238    4.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9467    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (469)
470

>  <Formula> (469)
C11H20ClNO3S

>  <MolWeight> (469)
281.7994

>  <Cat> (469)
S9782

>  <Name> (469)
Sulfopin

>  <Synonyms> (469)
PIN1-3

>  <Target> (469)
Others

>  <Form> (469)
Free Base

>  <CAS> (469)
2451481-08-4

>  <URL> (469)
http://www.selleckchem.com/products/sulfopin.html

$$$$

csChFnd80/08122210532D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (470)
471

>  <Formula> (470)
C19H12Cl3N3OS

>  <MolWeight> (470)
436.74208

>  <Cat> (470)
S9914

>  <Name> (470)
CITCO

>  <Synonyms> (470)
N/A

>  <Form> (470)
Free Base

>  <CAS> (470)
338404-52-7

>  <URL> (470)
http://www.selleckchem.com/products/citco.html

$$$$

csChFnd80/08122210532D

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>  <Mol_ID> (471)
472

>  <Formula> (471)
C27H36N6O4

>  <MolWeight> (471)
508.61254

>  <Cat> (471)
E0049

>  <Name> (471)
Pizuglanstat (TAS-205)

>  <Synonyms> (471)
N/A

>  <Target> (471)
PGDS

>  <Form> (471)
Free Base

>  <CAS> (471)
1244967-98-3

>  <URL> (471)
http://www.selleckchem.com/products/pizuglanstat.html

$$$$

csChFnd80/08122210532D

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>  <Mol_ID> (472)
473

>  <Formula> (472)
C20H19F2N3O3

>  <MolWeight> (472)
387.3799664

>  <Cat> (472)
E0054

>  <Name> (472)
Tegoprazan

>  <Synonyms> (472)
CJ-12420, IN-A001, K-CAB, LXI-15028, RQ-00000004

>  <Target> (472)
ATPase

>  <Form> (472)
Free Base

>  <CAS> (472)
942195-55-3

>  <URL> (472)
http://www.selleckchem.com/products/tegoprazan.html

$$$$

csChFnd80/08122210532D

 33 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (473)
474

>  <Formula> (473)
C18H19F8N5O2

>  <MolWeight> (473)
489.3629856

>  <Cat> (473)
E0122

>  <Name> (473)
Gemigliptin

>  <Synonyms> (473)
Zemiglo, LC15-0444

>  <Target> (473)
DPP-4

>  <Form> (473)
Free Base

>  <CAS> (473)
911637-19-9

>  <URL> (473)
http://www.selleckchem.com/products/gemigliptin.html

$$$$
