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azd6244.cdx
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csChFnd80/03012214202D

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212631-79-3

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391210-10-9

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M  END
>  <Mol_ID> (5)
32

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
464.58642

>  <Cat> (5)
S1048

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

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
Free Base

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

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

$$$$
Y-27632 2HCL.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (6)
33

>  <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
csChFnd80/03012214202D

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>  <Mol_ID> (7)
38

>  <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
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (8)
42

>  <Formula> (8)
C22H16N4O3

>  <MolWeight> (8)
384.38744

>  <Cat> (8)
S1067

>  <Name> (8)
SB 431542

>  <Synonyms> (8)
N/A

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

>  <Form> (8)
Free Base

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

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

$$$$

csChFnd80/03012214202D

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>  <Mol_ID> (9)
48

>  <Formula> (9)
C25H23Cl2N5O

>  <MolWeight> (9)
480.38902

>  <Cat> (9)
S1078

>  <Name> (9)
MK-2206 dihydrochloride

>  <Synonyms> (9)
N/A

>  <Target> (9)
Akt

>  <Form> (9)
Dihydrochloride

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

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

$$$$
untitled.cdx
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ATM 

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587871-26-9

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IGF-1R

>  <Form> (11)
Free Base

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

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

$$$$
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PLK

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Free Base

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755038-02-9

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c-Met 

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943540-75-8

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

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M  END
>  <Mol_ID> (17)
79

>  <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
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (18)
84

>  <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
csChFnd80/03012214202D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (19)
90

>  <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
csChFnd80/03012214202D

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537705-08-1

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PI3K

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Free Base

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663619-89-4

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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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EGFR

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Free Base

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1214265-57-2

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

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BIBR1532.cdx
csChFnd80/03012214202D

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C21H17NO3

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331.36458

>  <Cat> (25)
S1186

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BIBR1532

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N/A

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Telomerase

>  <Form> (25)
Free Base

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

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

$$$$
Anastrozole.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (26)
115

>  <Formula> (26)
C17H19N5

>  <MolWeight> (26)
293.36626

>  <Cat> (26)
S1188

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Anastrozole

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Arimidex 

>  <Target> (26)
Aromatase

>  <Form> (26)
Free Base

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

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

$$$$
Aprepitant.cdx
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>  <Mol_ID> (27)
116

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C23H21F7N4O3

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Aprepitant (MK-0869)

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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

$$$$
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>  <Mol_ID> (28)
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mTOR 

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938440-64-3

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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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918504-65-1

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M  END
>  <Mol_ID> (32)
200

>  <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
csChFnd80/03012214202D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (33)
201

>  <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
csChFnd80/03012214202D

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 11  3  2  0  0  0  0
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 13  6  1  0  0  0  0
 18  7  1  0  0  0  0
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 21  9  1  0  0  0  0
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M  END
>  <Mol_ID> (34)
202

>  <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
csChFnd80/03012214202D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (35)
227

>  <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
csChFnd80/03012214202D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (36)
235

>  <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
csChFnd80/03012214202D

 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
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    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
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   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
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  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
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 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)
249

>  <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
csChFnd80/03012214202D

 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
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   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
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   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
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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
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  3  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 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
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 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 35  2  0  0  0  0
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 36 37  1  0  0  0  0
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 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)
279

>  <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
csChFnd80/03012214202D

 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
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    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
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (39)
280

>  <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
csChFnd80/03012214202D

 30 33  0  0  0  0  0  0  0  0999 V2000
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284

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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

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csChFnd80/03012214202D

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294

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Safinamide Mesylate (FCE28073)

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FCE-28073(R-isomer), PNU-151774E, NW-1015 

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MAO

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Mesylate

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202825-46-5

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

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295

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C21H16F4N4O2

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GSK429286A

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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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296

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MEK 

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1236699-92-5

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

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1009119-64-5

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Tadalafil (Cialis)

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PDE

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Free Base

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171596-29-5

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

$$$$
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csChFnd80/03012214202D

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Wee1

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955365-80-7

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

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/03012214202D

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461432-26-8

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

$$$$
Pimobendan.cdx
csChFnd80/03012214202D

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335

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PDE

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Free Base

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74150-27-9

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

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>  <Mol_ID> (49)
339

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C25H31N5O4

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N/A 

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mTOR

>  <Form> (49)
Free Base

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

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

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csChFnd80/03012214202D

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>  <Mol_ID> (50)
340

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SEN0014196

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Sirtuin

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Free Base

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

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

$$$$
KU-60019.cdx
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350

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ATM 

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Free Base

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925701-49-1

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

$$$$
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>  <Mol_ID> (52)
354

>  <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
csChFnd80/03012214202D

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>  <Mol_ID> (53)
357

>  <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
csChFnd80/03012214202D

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>  <Mol_ID> (54)
379

>  <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
csChFnd80/03012214202D

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>  <Mol_ID> (55)
473

>  <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
csChFnd80/03012214202D

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498

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C20H21FN6O5

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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)
542

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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)
544

>  <Formula> (58)
C29H27N7O4S

>  <MolWeight> (58)
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>  <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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666260-75-9

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

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mTOR

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Free Base

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1009298-59-2

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

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A-803467

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Sodium Channel 

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Free Base

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944261-79-4

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

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329-98-6

>  <URL> (71)
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C26H22N2O2

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Sirtinol

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>  <Target> (72)
Sirtuin 

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Free Base

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410536-97-9

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

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GDC-0068.cdx
csChFnd80/03012214202D

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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

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$$$$
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Free Base

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328543-09-5

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http://www.selleckchem.com/products/AG14361.html

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SB743921 HCl

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N/A

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Kinesin

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Hydrochloride

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940929-33-9

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

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EGFR, HER2

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Free Base

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848942-61-0

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

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GSK461364

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PLK

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Free Base

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929095-18-1

>  <URL> (80)
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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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>  <Formula> (82)
C19H20O3

>  <MolWeight> (82)
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>  <Cat> (82)
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Cryptotanshinone

>  <Synonyms> (82)
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)
C33H40O15

>  <MolWeight> (83)
676.6617

>  <Cat> (83)
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>  <Name> (83)
Icariin

>  <Synonyms> (83)
N/A

>  <Target> (83)
PDE

>  <Form> (83)
Free Base

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

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

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>  <Formula> (84)
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>  <MolWeight> (84)
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>  <Cat> (84)
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>  <Name> (84)
PCI-32765 (Ibrutinib)

>  <Synonyms> (84)
N/A

>  <Target> (84)
Src

>  <Form> (84)
Free Base

>  <CAS> (84)
936563-96-1

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

$$$$
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csChFnd80/03012214202D

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366789-02-8

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

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mTOR

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Free Base

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936890-98-1

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

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FAAH

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Free Base

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546141-08-6 

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

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

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

$$$$
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1292799-56-4 

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1062159-35-6 

>  <URL> (92)
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C25H27F4N3O3S

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Odanacatib (MK 0822)

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MK0822

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Cathepsin K

>  <Form> (93)
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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910

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C26H23FIN5O4

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871700-17-3

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

$$$$
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Wnt/beta-catenin

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780757-88-2

>  <URL> (97)
http://www.selleckchem.com/products/icg-001.html

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FAAH

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Free Base

>  <CAS> (98)
1196109-52-0

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

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Phosphorylase

>  <Form> (99)
Free Base

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

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

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942918-07-2

>  <URL> (100)
http://www.selleckchem.com/products/gsk1070916.html

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csChFnd80/03012214202D

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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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EGFR

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264218-23-7

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http://www.selleckchem.com/products/sb-415286.html

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mTOR 

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1224844-38-5

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Tideglusib.cdx
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Free Base

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

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

$$$$
carfilzomib(PR-171).cdx
csChFnd80/03012214202D

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Proteasome

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Free Base

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868540-17-4

>  <URL> (113)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

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csChFnd80/03012214202D

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$$$$
GW 441756.cdx
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504433-23-2

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http://www.selleckchem.com/products/gw-441756.html

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csChFnd80/03012214202D

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5-HT Receptor

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209481-20-9

>  <URL> (116)
http://www.selleckchem.com/products/sb-271046.html

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SB 742457.cdx
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5-HT Receptor

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Free Base

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607742-69-8

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

$$$$
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csChFnd80/03012214202D

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>  <Mol_ID> (118)
1131

>  <Formula> (118)
C22H19ClFN3O2

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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
csChFnd80/03012214202D

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>  <Mol_ID> (119)
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Lumiracoxib (COX-189)

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N/A

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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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459168-41-3

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

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csChFnd80/03012214202D

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C19H16N2O5

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IOX2

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N/A

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HIF

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Free Base

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

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

$$$$

csChFnd80/03012214202D

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1178

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C18H25N3O2

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S1540

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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
csChFnd80/03012214202D

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>  <Mol_ID> (123)
1207

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C22H22N2O4

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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
csChFnd80/03012214202D

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>  <Mol_ID> (124)
1220

>  <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
csChFnd80/03012214202D

 18 18  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (125)
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Sulbactam sodium (Unasyn)

>  <Synonyms> (125)
N/A

>  <Target> (125)
Antifection

>  <Form> (125)
Sodium  salt

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

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

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aspirin.cdx
csChFnd80/03012214202D

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C9H8O4

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Aspirin (Acetylsalicylic acid)

>  <Synonyms> (126)
N/A

>  <Target> (126)
COX

>  <Form> (126)
Free Base

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

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

$$$$
GNF-2.cdx
csChFnd80/03012214202D

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1241

>  <Formula> (127)
C18H13F3N4O2

>  <MolWeight> (127)
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S2899

>  <Name> (127)
GNF-2

>  <Synonyms> (127)
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

$$$$
PF-04981517.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (128)
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Free Base

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1390637-82-7

>  <URL> (128)
http://www.selleckchem.com/products/pf-4981517.html

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csChFnd80/03012214202D

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>  <CAS> (129)
348622-88-8

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

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354812-17-2

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http://www.selleckchem.com/products/sc-514.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)
http://www.selleckchem.com/products/jzl184.html

$$$$
RIMADYL (carprofen).cdx
csChFnd80/03012214202D

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Carprofen

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N/A

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COX

>  <Form> (136)
Free Base

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

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

$$$$
Eprosartan mesylate.cdx
csChFnd80/03012214202D

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1400

>  <Formula> (137)
C24H28N2O7S2

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>  <Cat> (137)
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
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (138)
1445

>  <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)
1454

>  <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
csChFnd80/03012214202D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
1499

>  <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
csChFnd80/03012214202D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
1521

>  <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
csChFnd80/03012214202D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
1526

>  <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
csChFnd80/03012214202D

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 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (143)
1536

>  <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
csChFnd80/03012214202D

 34 34  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (144)
1545

>  <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
csChFnd80/03012214202D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
1554

>  <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
csChFnd80/03012214202D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
1613

>  <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
csChFnd80/03012214202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4104    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (147)
1631

>  <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
csChFnd80/03012214202D

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  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  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)
1678

>  <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
csChFnd80/03012214202D

 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
    3.1249    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.6016    7.1978    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
    4.3373    3.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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)
1680

>  <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
csChFnd80/03012214202D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
   10.2966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.7966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4942    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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)
1701

>  <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
csChFnd80/03012214202D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (151)
1708

>  <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
csChFnd80/03012214202D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4560    2.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871    2.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616    4.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    4.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    2.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  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)
1741

>  <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
csChFnd80/03012214202D

 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
   10.9612    3.5679    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 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)
1768

>  <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
csChFnd80/03012214202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.4337    4.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2995    5.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    5.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1227    6.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2323    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3055    7.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401    6.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (154)
1809

>  <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
csChFnd80/03012214202D

 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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    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (155)
1855

>  <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
csChFnd80/03012214202D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7822    4.7401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6633    3.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1615    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7788    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5150    2.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6339    4.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3994    4.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 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
 20 29  1  0  0  0  0
 24 29  1  0  0  0  0
 19 26  1  0  0  0  0
 18 19  1  0  0  0  0
  5 15  1  0  0  0  0
  9 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
>  <Mol_ID> (156)
1988

>  <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
csChFnd80/03012214202D

 45 51  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 25  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 28 32  1  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
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 29 36  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1993

>  <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
csChFnd80/03012214202D

 24 27  0  0  0  0  0  0  0  0999 V2000
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PAK

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Free Base

>  <CAS> (158)
42521-82-4

>  <URL> (158)
https://www.selleckchem.com/products/ipa-3.html

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Src

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Free Base

>  <CAS> (159)
172889-27-9

>  <URL> (159)
https://www.selleckchem.com/products/pp2.html

$$$$
PD168393.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (160)
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C17H13BrN4O

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PD168393

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N/A

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EGFR

>  <Form> (160)
Free Base

>  <CAS> (160)
194423-15-9

>  <URL> (160)
https://www.selleckchem.com/products/pd168393.html

$$$$
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>  <Mol_ID> (161)
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EPZ004777

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N/A

>  <Target> (161)
Histone Methyltransferase

>  <Form> (161)
Free Base

>  <CAS> (161)
1338466-77-5

>  <URL> (161)
https://www.selleckchem.com/products/epz004777.html

$$$$
TCID.cdx
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>  <Mol_ID> (162)
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>  <Name> (162)
TCID

>  <Synonyms> (162)
UCH-L3 Inhibitor

>  <Target> (162)
DUB

>  <Form> (162)
Free Base

>  <CAS> (162)
30675-13-9

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

$$$$
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M  END
>  <Mol_ID> (163)
2030

>  <Formula> (163)
C26H27F4N7O2

>  <MolWeight> (163)
545.5318928

>  <Cat> (163)
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

$$$$
S4800 Daminozide.cdx
csChFnd80/03012214202D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
2084

>  <Formula> (164)
C6H12N2O3

>  <MolWeight> (164)
160.17108

>  <Cat> (164)
S4800

>  <Name> (164)
Daminozide

>  <Synonyms> (164)
Aminozide, Succinic Acid

>  <Target> (164)
PHF8,KDM2A 

>  <Form> (164)
free base

>  <CAS> (164)
1596-84-5

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

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/03012214202D

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   10.0620    5.7774    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
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M  END
>  <Mol_ID> (165)
2150

>  <Formula> (165)
C36H35BrN2O6

>  <MolWeight> (165)
671.5769

>  <Cat> (165)
S4854

>  <Name> (165)
Bedaquiline fumarate

>  <Synonyms> (165)
TMC-207

>  <Target> (165)
Antifection

>  <Form> (165)
fumarate

>  <CAS> (165)
845533-86-0

>  <URL> (165)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

$$$$
S4935 Asunaprevir.cdx
csChFnd80/03012214202D

 51 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (166)
2152

>  <Formula> (166)
C35H46ClN5O9S

>  <MolWeight> (166)
748.28584

>  <Cat> (166)
S4935

>  <Name> (166)
Asunaprevir

>  <Synonyms> (166)
BMS-650032

>  <Target> (166)
hepatitis C virus enzyme serine protease NS

>  <Form> (166)
free base

>  <CAS> (166)
630420-16-5

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

$$$$
S4856 Iproniazid.cdx
csChFnd80/03012214202D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (167)
2178

>  <Formula> (167)
C9H13N3O

>  <MolWeight> (167)
179.21902

>  <Cat> (167)
S4856

>  <Name> (167)
Iproniazid

>  <Synonyms> (167)
Marsilid, Iprazid

>  <Target> (167)
MAO

>  <Form> (167)
free base

>  <CAS> (167)
54-92-2

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

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/03012214202D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (168)
2271

>  <Formula> (168)
C18H21N5O2

>  <MolWeight> (168)
339.39164

>  <Cat> (168)
S2868

>  <Name> (168)
Alogliptin£¨SYR-322£©

>  <Synonyms> (168)
N/A

>  <Target> (168)
DPP-4

>  <Form> (168)
Free Base

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

>  <URL> (168)
http://www.selleckchem.com/products/alogliptin-syr-322.html

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/03012214202D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (169)
2285

>  <Formula> (169)
C18H21N5O2

>  <MolWeight> (169)
339.39164

>  <Cat> (169)
S5365

>  <Name> (169)
Alogliptin

>  <CAS> (169)
850649-61-5

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/03012214202D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (170)
2302

>  <Formula> (170)
C11H6F3NO2S

>  <MolWeight> (170)
273.2310496

>  <Cat> (170)
S8005

>  <Name> (170)
SMI-4a

>  <Synonyms> (170)
N/A

>  <Target> (170)
Pim

>  <Form> (170)
Free Base

>  <CAS> (170)
438190-29-5

>  <URL> (170)
http://www.selleckchem.com/products/smi-4a.html

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (171)
2312

>  <Formula> (171)
C25H26Cl3N7O

>  <MolWeight> (171)
546.87924

>  <Cat> (171)
S8012

>  <Name> (171)
CP-945598 HCl

>  <Synonyms> (171)
N/A

>  <Target> (171)
Cannabinoid Receptor

>  <Form> (171)
Hydrochloride

>  <CAS> (171)
686347-12-6

>  <URL> (171)
http://www.selleckchem.com/products/cp-945598-hcl.html

$$$$
GW 9508.cdx
csChFnd80/03012214202D

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885101-89-3

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http://www.selleckchem.com/products/gw9508.html

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PPAR

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317318-84-6

>  <URL> (173)
http://www.selleckchem.com/products/gw0742.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/03012214202D

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C18H20N2O4S

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TCS 359

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FLT3

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Free Base

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301305-73-7

>  <URL> (174)
http://www.selleckchem.com/products/tcs-359.html

$$$$
NSC23766.cdx
csChFnd80/03012214202D

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NSC 23766

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N/A

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Rac

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HCl

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1177865-17-6

>  <URL> (175)
http://www.selleckchem.com/products/nsc-23766.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/03012214202D

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Sodium Monofluorophosphate

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Sodium Fluorophosphate

>  <Target> (176)
Others
phosphatase

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Disodium salt

>  <CAS> (176)
10163-15-2

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

$$$$
ABT-199.cdx
csChFnd80/03012214202D

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2332

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N/A

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Bcl-2

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1257044-40-8

>  <URL> (177)
http://www.selleckchem.com/products/abt-199.html

$$$$
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2337

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Empagliflozin (BI10773)

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N/A

>  <Target> (178)
SGLT

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Free Base

>  <CAS> (178)
864070-44-0

>  <URL> (178)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

$$$$
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N/A

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BET

>  <Form> (179)
Free Base

>  <CAS> (179)
1268524-70-4

>  <URL> (179)
http://www.selleckchem.com/products/jq1.html

$$$$
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TAE684 (NVP-TAE684)

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N/A 

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ALK 

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Free Base

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761439-42-3

>  <URL> (185)
http://www.selleckchem.com/products/NVP-TAE684.html

$$$$
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csChFnd80/03012214202D

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2360

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C18H13N7S

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SGX-523

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N/A

>  <Target> (186)
c-Met 

>  <Form> (186)
Free Base

>  <CAS> (186)
1022150-57-7

>  <URL> (186)
http://www.selleckchem.com/products/SGX-523.html

$$$$
s1023.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (187)
2362

>  <Formula> (187)
C22H24ClN3O4

>  <MolWeight> (187)
429.89666

>  <Cat> (187)
S1023

>  <Name> (187)
Erlotinib(OSI-744)

>  <Synonyms> (187)
(CP358774, NSC 718781) HCl

>  <Target> (187)
EGFR

>  <Form> (187)
Hydrochloride

>  <CAS> (187)
183319-69-9

>  <URL> (187)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
Neratinib.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (188)
2418

>  <Formula> (188)
C30H29ClN6O3

>  <MolWeight> (188)
557.04266

>  <Cat> (188)
S2150

>  <Name> (188)
Neratinib (HKI-272)

>  <Synonyms> (188)
N/A 

>  <Target> (188)
HER2, EGFR

>  <Form> (188)
Free Base

>  <CAS> (188)
698387-09-6

>  <URL> (188)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

$$$$
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635318-11-5

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891494-63-6

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http://www.selleckchem.com/products/sch-900776.html

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1095382-05-0

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FGFR

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Histone Methyltransferase

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1802175-06-9

>  <URL> (195)
http://www.selleckchem.com/products/cpi-360.html

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GSK-3

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667463-85-6

>  <URL> (196)
http://www.selleck.cn/products/bio-acetoxime.html

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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)

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$$$$
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free base

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>  <Mol_ID> (201)
2580

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WT161

>  <Synonyms> (201)
N/A

>  <Target> (201)
HDAC1,2,6

>  <Form> (201)
free base

>  <CAS> (201)
1206731-57-8

>  <URL> (201)
http://www.selleckchem.com/products/wt161.html

$$$$
EPZ005687.cdx
csChFnd80/03012214202D

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2594

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C32H37N5O3

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539.66788

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S7004

>  <Name> (202)
EPZ005687

>  <Synonyms> (202)
N/A

>  <Target> (202)
Histone Methyltransferase

>  <Form> (202)
Free Base

>  <CAS> (202)
1396772-26-1

>  <URL> (202)
http://www.selleckchem.com/products/epz005687.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/03012214202D

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2597

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C15H11ClN2OS

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SKI II

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SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (203)
S1P Receptor

>  <Form> (203)
Free Base

>  <CAS> (203)
312636-16-1

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

$$$$
GSK2334470.cdx
csChFnd80/03012214202D

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2604

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C25H34N8O

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GSK2334470

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N/A

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PDK-1

>  <Form> (204)
Free Base

>  <CAS> (204)
1227911-45-6

>  <URL> (204)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
Thiamet G.cdx
csChFnd80/03012214202D

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Thiamet G 

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N/A

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1009816-48-1

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http://www.selleckchem.com/products/thiamet-g.html

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RGFP966.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (206)
2613

>  <Formula> (206)
C21H19FN4O

>  <MolWeight> (206)
362.4001632

>  <Cat> (206)
S7229

>  <Name> (206)
RGFP966

>  <Synonyms> (206)
N/A

>  <Target> (206)
HDAC

>  <Form> (206)
Free Base

>  <CAS> (206)
1396841-57-8

>  <URL> (206)
http://www.selleckchem.com/products/rgfp966.html

$$$$
dynasore .cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (207)
2618

>  <Formula> (207)
C18H14N2O4

>  <MolWeight> (207)
322.31476

>  <Cat> (207)
S8047

>  <Name> (207)
Dynasore

>  <Synonyms> (207)
N/A

>  <Target> (207)
Dynamin

>  <Form> (207)
Free Base

>  <CAS> (207)
304448-55-3

>  <URL> (207)
http://www.selleckchem.com/products/dynasore.html

$$$$
SGC 0946.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (208)
2620

>  <Formula> (208)
C28H40BrN7O4

>  <MolWeight> (208)
618.5657

>  <Cat> (208)
S7079

>  <Name> (208)
SGC 0946

>  <Synonyms> (208)
N/A

>  <Target> (208)
Histone Methyltransferase

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
AZD1981.cdx
csChFnd80/03012214202D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
2624

>  <Formula> (209)
C19H17ClN2O3S

>  <MolWeight> (209)
388.86788

>  <Cat> (209)
S7263

>  <Name> (209)
AZD1981

>  <Synonyms> (209)
N/A

>  <Target> (209)
GPR

>  <Form> (209)
Free Base

>  <CAS> (209)
802904-66-1

>  <URL> (209)
http://www.selleckchem.com/products/azd1981.html

$$$$
SRPIN340.cdx
csChFnd80/03012214202D

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2691

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Tazemetostat (EPZ-6438)

>  <Synonyms> (214)
E7438

>  <Target> (214)
Histone Methyltransferase

>  <Form> (214)
Free Base

>  <CAS> (214)
1403254-99-8

>  <URL> (214)
http://www.selleckchem.com/products/epz-6438.html

$$$$
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RVX-208(RVX-000222)

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RVX-000222

>  <Target> (215)
Epigenetic Reader Domain

>  <Form> (215)
Free Base

>  <CAS> (215)
1044870-39-4

>  <URL> (215)
http://www.selleckchem.com/products/rvx-208.html

$$$$
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>  <Formula> (216)
C18H15N2NaO4

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>  <Name> (216)
SSR128129E (SSR)

>  <Synonyms> (216)
SSR

>  <Target> (216)
FGFR

>  <Form> (216)
Free Base

>  <CAS> (216)
848318-25-2

>  <URL> (216)
http://www.selleckchem.com/products/ssr128129e.html

$$$$
UNC1999.cdx
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>  <Name> (217)
UNC1999

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N/A

>  <Target> (217)
Histone Methyltransferase

>  <Form> (217)
Free Base

>  <CAS> (217)
1431612-23-5

>  <URL> (217)
http://www.selleckchem.com/products/unc1999.html

$$$$
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1337532-29-2

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885325-71-3

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>  <Mol_ID> (227)
2744

>  <Formula> (227)
C17H30N2O5

>  <MolWeight> (227)
342.4305

>  <Cat> (227)
S7393

>  <Name> (227)
E-64d(Aloxistatin,Loxistatin£©

>  <Synonyms> (227)
E-64d

>  <Target> (227)
Cysteine Protease

>  <Form> (227)
Free Base

>  <CAS> (227)
88321-09-9

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

$$$$
LM-3230 NH125.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (228)
2747

>  <Formula> (228)
C27H45IN2

>  <MolWeight> (228)
524.56407

>  <Cat> (228)
S7436

>  <Name> (228)
NH125

>  <Synonyms> (228)
N/A

>  <Target> (228)
CaMK

>  <Form> (228)
iodide

>  <CAS> (228)
278603-08-0

>  <URL> (228)
http://www.selleckchem.com/products/nh125.html

$$$$
LDN193189 HCl.cdx
csChFnd80/03012214202D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (229)
2754

>  <Formula> (229)
C25H23ClN6

>  <MolWeight> (229)
442.94332

>  <Cat> (229)
S7507

>  <Name> (229)
LDN193189 HCl

>  <Synonyms> (229)
N/A

>  <Target> (229)
TGF-beta/Smad

>  <Form> (229)
Hydrochloride

>  <CAS> (229)
1062368-62-0

>  <URL> (229)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
1-Azakenpaullone.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (230)
2757

>  <Formula> (230)
C15H10BrN3O

>  <MolWeight> (230)
328.1634

>  <Cat> (230)
S7193

>  <Name> (230)
1-Azakenpaullone

>  <Synonyms> (230)
N/A

>  <Target> (230)
GSK-3

>  <Form> (230)
Free Base

>  <CAS> (230)
676596-65-9

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

$$$$
ISRIB (trans-isomer).cdx
csChFnd80/03012214202D

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>  <Mol_ID> (231)
2759

>  <Formula> (231)
C22H24Cl2N2O4

>  <MolWeight> (231)
451.34296

>  <Cat> (231)
S7400

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ISRIB (trans-isomer)

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1403783-31-2

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

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1432660-47-3

>  <URL> (233)
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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MNK

>  <Form> (236)
Free Base

>  <CAS> (236)
522629-08-9

>  <URL> (236)
http://www.selleckchem.com/products/cgp57380.html

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/03012214202D

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2776

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C15H26N2O5

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Loxistatin Acid (E-64C)

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NSC 694279, EP 475

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Cysteine Protease

>  <Form> (237)
Free Base

>  <CAS> (237)
76684-89-4

>  <URL> (237)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

$$$$
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csChFnd80/03012214202D

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2778

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C18H20FN5O2

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S7513

>  <Name> (238)
Trelagliptin

>  <Synonyms> (238)
SYR-472

>  <Target> (238)
DPP-4

>  <Form> (238)
Free Base

>  <CAS> (238)
865759-25-7

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

$$$$
NMS-E973.cdx
csChFnd80/03012214202D

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2780

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C22H22N4O7

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NMS-E973

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N/A

>  <Target> (239)
HSP

>  <Form> (239)
Free Base

>  <CAS> (239)
1253584-84-7

>  <URL> (239)
http://www.selleckchem.com/products/nms-e973.html

$$$$
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csChFnd80/03012214202D

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AZD9291

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N/A

>  <Target> (240)
EGFR

>  <Form> (240)
Free Base

>  <CAS> (240)
1421373-65-0

>  <URL> (240)
http://www.selleckchem.com/products/azd9291.html

$$$$
Z-FA-FMK.cdx
csChFnd80/03012214202D

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Z-FA-FMK

>  <Synonyms> (241)
N/A

>  <Target> (241)
Cysteine Protease

>  <Form> (241)
Free Base

>  <CAS> (241)
197855-65-5

>  <URL> (241)
http://www.selleckchem.com/products/z-fa-fmk.html

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AZD9668.cdx
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2804

>  <Formula> (242)
C24H20F3N5O4S

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>  <Name> (242)
Alvelestat (AZD9668£©

>  <Synonyms> (242)
N/A

>  <Target> (242)
Serine Protease

>  <Form> (242)
Free Base

>  <CAS> (242)
848141-11-7

>  <URL> (242)
http://www.selleckchem.com/products/avelestat-azd9668.html

$$$$
Darapladib.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (243)
2805

>  <Formula> (243)
C36H38F4N4O2S

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>  <Cat> (243)
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>  <Name> (243)
Darapladib (SB-480848)

>  <Synonyms> (243)
N/A

>  <Target> (243)
Phospholipase (e.g. PLA)

>  <Form> (243)
Free Base

>  <CAS> (243)
356057-34-6

>  <URL> (243)
http://www.selleckchem.com/products/darapladib-sb-480848.html

$$$$
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ERK

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Free Base

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1234480-50-2

>  <URL> (248)
http://www.selleckchem.com/products/xmd8-92.html

$$$$
CGI1746 .cdx
csChFnd80/03012214202D

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C34H37N5O4

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S7051

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CGI1746

>  <Synonyms> (249)
N/A

>  <Target> (249)
BTK

>  <Form> (249)
Free Base

>  <CAS> (249)
910232-84-7

>  <URL> (249)
http://www.selleckchem.com/products/cgi1746.html

$$$$
PI-1840.cdx
csChFnd80/03012214202D

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2821

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C22H26N4O3

>  <MolWeight> (250)
394.46684

>  <Cat> (250)
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>  <Name> (250)
PI-1840

>  <Synonyms> (250)
N/A

>  <Target> (250)
Proteasome

>  <Form> (250)
Free Base

>  <CAS> (250)
1401223-22-0

>  <URL> (250)
http://www.selleckchem.com/products/pi-1840.html

$$$$
AEBSF hydrochloride .cdx
csChFnd80/03012214202D

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2823

>  <Formula> (251)
C8H11ClFNO2S

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>  <Cat> (251)
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>  <Name> (251)
AEBSF HCl

>  <Synonyms> (251)
N/A

>  <Target> (251)
Serine Protease

>  <Form> (251)
Hydrochloride

>  <CAS> (251)
30827-99-7

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

$$$$
MALT1 inhibitor.cdx
csChFnd80/03012214202D

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MALT

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Free Base

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1047953-91-2

>  <URL> (252)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

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HJC0350

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N/A

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cAMP

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Free Base

>  <CAS> (253)
885434-70-8

>  <URL> (253)
http://www.selleckchem.com/products/hjc0350.html

$$$$
HO-3867.cdx
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2837

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C28H30F2N2O2

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HO-3867

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STAT

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Free Base

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1172133-28-6

>  <URL> (254)
http://www.selleckchem.com/products/ho-3867.html

$$$$
SB-3CT.cdx
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MMP

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292605-14-2

>  <URL> (255)
http://www.selleckchem.com/products/sb-3ct.html

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Santacruzamate A (CAY10683)

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HDAC

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Free Base

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1477949-42-0

>  <URL> (256)
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Rho

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Free Base

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No

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

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>  <Synonyms> (258)
N/A

>  <Target> (258)
PLK

>  <Form> (258)
Free Base

>  <CAS> (258)
1034616-18-6

>  <URL> (258)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

$$$$
ESI-09.cdx
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>  <Mol_ID> (259)
2869

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C16H15ClN4O2

>  <MolWeight> (259)
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ESI-09

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N/A

>  <Target> (259)
cAMP

>  <Form> (259)
Free Base

>  <CAS> (259)
263707-16-0

>  <URL> (259)
http://www.selleckchem.com/products/esi-09.html

$$$$
Z-DEVD-FMK.cdx
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Z-DEVD-FMK

>  <Synonyms> (260)
Caspase-3 Inhibitor

>  <Target> (260)
Caspase

>  <Form> (260)
Free Base

>  <CAS> (260)
210344-95-9

>  <URL> (260)
http://www.selleckchem.com/products/z-devd-fmk.html

$$$$
PFI-2.cdx
csChFnd80/03012214202D

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PFI-2 HCl

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Histone Methyltransferase

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1627676-59-8

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PKC

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  1  8  1  0  0  0  0
M  END
>  <Mol_ID> (274)
2956

>  <Formula> (274)
C29H35F3N2O3

>  <MolWeight> (274)
516.5950096

>  <Cat> (274)
S7179

>  <Name> (274)
BAF312 (Siponimod)

>  <Synonyms> (274)
N/A

>  <Target> (274)
S1P Receptor

>  <Form> (274)
Free Base

>  <CAS> (274)
1230487-00-9

>  <URL> (274)
http://www.selleckchem.com/products/baf312-siponimod.html

$$$$
FTI 277 HCl.cdx
csChFnd80/03012214202D

 31 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (275)
2957

>  <Formula> (275)
C22H30ClN3O3S2

>  <MolWeight> (275)
484.0749

>  <Cat> (275)
S7465

>  <Name> (275)
FTI 277 HCl

>  <Synonyms> (275)
N/A

>  <Target> (275)
Transferase

>  <Form> (275)
hydrochloride salt

>  <CAS> (275)
180977-34-8

>  <URL> (275)
http://www.selleckchem.com/products/fti-277-hcl.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/03012214202D

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (276)
2959

>  <Formula> (276)
C24H28Cl2N2O4

>  <MolWeight> (276)
479.39612

>  <Cat> (276)
S7720

>  <Name> (276)
SBE 13 HCl

>  <Synonyms> (276)
N/A

>  <Target> (276)
PLK

>  <Form> (276)
Hydrochloride

>  <CAS> (276)
1052532-15-6

>  <URL> (276)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
SD208.cdx
csChFnd80/03012214202D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (277)
2962

>  <Formula> (277)
C17H10ClFN6

>  <MolWeight> (277)
352.7529032

>  <Cat> (277)
S7624

>  <Name> (277)
SD-208

>  <Synonyms> (277)
N/A

>  <Target> (277)
TGF-beta/Smad

>  <Form> (277)
Free Base

>  <CAS> (277)
627536-09-8

>  <URL> (277)
http://www.selleckchem.com/products/sd-208.html

$$$$
LFM-A13.cdx
csChFnd80/03012214202D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (278)
2963

>  <Formula> (278)
C11H8Br2N2O2

>  <MolWeight> (278)
360.00142

>  <Cat> (278)
S7734

>  <Name> (278)
LFM-A13

>  <Synonyms> (278)
N/A

>  <Target> (278)
BTK

>  <Form> (278)
Free Base

>  <CAS> (278)
244240-24-2

>  <URL> (278)
http://www.selleckchem.com/products/lfm-a13.html

$$$$
XEN445.cdx
csChFnd80/03012214202D

 27 28  0  0  0  0  0  0  0  0999 V2000
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GSK-3

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603288-22-8

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http://www.selleckchem.com/products/ly2090314.html

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1431368-48-7

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>  <Mol_ID> (283)
2981

>  <Formula> (283)
C31H38N6O2

>  <MolWeight> (283)
526.67242

>  <Cat> (283)
S7061

>  <Name> (283)
GSK126

>  <Synonyms> (283)
N/A

>  <Target> (283)
Histone Methyltransferase

>  <Form> (283)
Free Base

>  <CAS> (283)
1346574-57-9

>  <URL> (283)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (284)
2985

>  <Formula> (284)
C20H25N5O3

>  <MolWeight> (284)
383.4442

>  <Cat> (284)
S7748

>  <Name> (284)
EPZ015666

>  <Synonyms> (284)
N/A

>  <Target> (284)
Histone Methyltransferase

>  <Form> (284)
Free Base

>  <CAS> (284)
1616391-65-1

>  <URL> (284)
http://www.selleckchem.com/products/epz015666.html

$$$$
Erlotinib free Base.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (285)
2990

>  <Formula> (285)
C22H23N3O4

>  <MolWeight> (285)
393.43572

>  <Cat> (285)
S7786

>  <Name> (285)
Erlotinib

>  <Synonyms> (285)
CP358774, NSC 718781

>  <Target> (285)
EGFR

>  <Form> (285)
Free Base

>  <CAS> (285)
183321-74-6

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

$$$$
CL-387785.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (286)
2992

>  <Formula> (286)
C18H13BrN4O

>  <MolWeight> (286)
381.22602

>  <Cat> (286)
S7557

>  <Name> (286)
CL-387785 (EKI-785)

>  <Synonyms> (286)
N/A

>  <Target> (286)
EGFR

>  <Form> (286)
Free Base

>  <CAS> (286)
194423-06-8

>  <URL> (286)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (287)
2993

>  <Formula> (287)
C24H30ClN7O2

>  <MolWeight> (287)
483.9937

>  <Cat> (287)
S1116

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

>  <Synonyms> (287)
N/A

>  <Target> (287)
CDK

>  <Form> (287)
Hydrochloride

>  <CAS> (287)
827022-32-2, 571190-30-2 (free base)

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

$$$$
PF-00080665.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (288)
2994

>  <Formula> (288)
C26H35N7O6S

>  <MolWeight> (288)
573.6644

>  <Cat> (288)
S1579

>  <Name> (288)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (288)
N/A

>  <Target> (288)
CDK

>  <Form> (288)
Isethionate

>  <CAS> (288)
827022-33-3, 571190-30-2(free base)

>  <URL> (288)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (289)
3005

>  <Formula> (289)
C32H33ClFN5O11

>  <MolWeight> (289)
718.0827232

>  <Cat> (289)
S7810

>  <Name> (289)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (289)
N/A

>  <Target> (289)
EGFR

>  <Form> (289)
Dimaleate

>  <CAS> (289)
850140-73-7

>  <URL> (289)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
VER155008.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (290)
3028

>  <Formula> (290)
C25H23Cl2N7O4

>  <MolWeight> (290)
556.40062

>  <Cat> (290)
S7751

>  <Name> (290)
VER155008

>  <Synonyms> (290)
C07

>  <Target> (290)
HSP (e.g. HSP90)

>  <Form> (290)
Free Base

>  <CAS> (290)
1134156-31-2

>  <URL> (290)
http://www.selleckchem.com/products/ver155008.html

$$$$
HTH-01-015.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (291)
3034

>  <Formula> (291)
C26H28N8O

>  <MolWeight> (291)
468.55352

>  <Cat> (291)
S7318

>  <Name> (291)
HTH-01-015

>  <Synonyms> (291)
N/A

>  <Target> (291)
AMPK

>  <Form> (291)
Free Base

>  <CAS> (291)
1613724-42-7

>  <URL> (291)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/03012214202D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (292)
3036

>  <Formula> (292)
C21H21F3IN3O2

>  <MolWeight> (292)
531.3100196

>  <Cat> (292)
S8041

>  <Name> (292)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (292)
XL518

>  <Target> (292)
MEK

>  <Form> (292)
Free Base

>  <CAS> (292)
934660-93-2

>  <URL> (292)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BPTES.cdx
csChFnd80/03012214202D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (293)
3039

>  <Formula> (293)
C24H24N6O2S3

>  <MolWeight> (293)
524.68136

>  <Cat> (293)
S7753

>  <Name> (293)
BPTES

>  <Synonyms> (293)
N/A

>  <Target> (293)
Glutaminase

>  <Form> (293)
Free Base

>  <CAS> (293)
314045-39-1

>  <URL> (293)
http://www.selleckchem.com/products/bptes.html

$$$$
PFI-4.cdx
csChFnd80/03012214202D

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M  END
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3050

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C21H24N4O3

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PFI-4

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N/A

>  <Target> (294)
Epigenetic Reader Domain

>  <Form> (294)
Free Base

>  <CAS> (294)
900305-37-5

>  <URL> (294)
http://www.selleckchem.com/products/pfi-4.html

$$$$
FIIN-2.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (295)
3063

>  <Formula> (295)
C35H38N8O4

>  <MolWeight> (295)
634.72742

>  <Cat> (295)
S7714

>  <Name> (295)
FIIN-2

>  <Synonyms> (295)
N/A

>  <Target> (295)
FGFR

>  <Form> (295)
Free Base

>  <CAS> (295)
1633044-56-0

>  <URL> (295)
http://www.selleckchem.com/products/fiin-2.html

$$$$
ORY-1001.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (296)
3067

>  <Formula> (296)
C15H24Cl2N2

>  <MolWeight> (296)
303.27046

>  <Cat> (296)
S7795

>  <Name> (296)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (296)
N/A

>  <Target> (296)
Histone Demethylase

>  <Form> (296)
Dihydrochloride

>  <CAS> (296)
1431326-61-2

>  <URL> (296)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
Fumagillin.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (297)
3077

>  <Formula> (297)
C26H34O7

>  <MolWeight> (297)
458.54396

>  <Cat> (297)
S7784

>  <Name> (297)
Fumagillin

>  <Synonyms> (297)
N/A

>  <Target> (297)
Others

>  <Form> (297)
Free Base

>  <CAS> (297)
23110-15-8

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

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/03012214202D

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>  <Mol_ID> (298)
3079

>  <Formula> (298)
C24H20Cl2FN5O2

>  <MolWeight> (298)
500.3523032

>  <Cat> (298)
S7709

>  <Name> (298)
VX-11e

>  <Synonyms> (298)
VTX-11e, Vertex-11e

>  <Target> (298)
ERK

>  <Form> (298)
Free Base

>  <CAS> (298)
896720-20-0

>  <URL> (298)
http://www.selleckchem.com/products/vx-11e.html

$$$$
NVP-TNKS656.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (299)
3085

>  <Formula> (299)
C27H34N4O5

>  <MolWeight> (299)
494.58266

>  <Cat> (299)
S7238

>  <Name> (299)
NVP-TNKS656

>  <Synonyms> (299)
N/A

>  <Target> (299)
PARP

>  <Form> (299)
Free Base

>  <CAS> (299)
1419949-20-4

>  <URL> (299)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/03012214202D

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>  <Mol_ID> (300)
3098

>  <Formula> (300)
C21H28FN3O7

>  <MolWeight> (300)
453.4613232

>  <Cat> (300)
S8102

>  <Name> (300)
Z-VAD(OH)-FMK

>  <Synonyms> (300)
N/A

>  <Target> (300)
Caspase

>  <Form> (300)
Free Base

>  <CAS> (300)
161401-82-7

>  <URL> (300)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

$$$$
GSK2879552.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (301)
3104

>  <Formula> (301)
C23H30Cl2N2O2

>  <MolWeight> (301)
437.4025

>  <Cat> (301)
S7796

>  <Name> (301)
GSK2879552 2HCl

>  <Synonyms> (301)
N/A

>  <Target> (301)
Histone Demethylase

>  <Form> (301)
Dihydrochloride

>  <CAS> (301)
1401966-69-5

>  <URL> (301)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
CC-223.cdx
csChFnd80/03012214202D

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BTK

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1420477-60-6

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1527503-11-2

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

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M  END
>  <Mol_ID> (314)
3183

>  <Formula> (314)
C23H22FN7O3

>  <MolWeight> (314)
463.4642832

>  <Cat> (314)
S8167

>  <Name> (314)
AMG 337

>  <Synonyms> (314)
N/A

>  <Target> (314)
c-Met

>  <Form> (314)
Free Base

>  <CAS> (314)
1173699-31-4

>  <URL> (314)
http://www.selleckchem.com/products/amg-337.html

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/03012214202D

 14 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (315)
3194

>  <Formula> (315)
C6H15ClF2N2O3

>  <MolWeight> (315)
236.6447064

>  <Cat> (315)
S4582

>  <Name> (315)
Eflornithine hydrochloride hydrate

>  <Synonyms> (315)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (315)
Decarboxylase

>  <Form> (315)
hydrochloride hydrate

>  <CAS> (315)
96020-91-6

>  <URL> (315)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (316)
3213

>  <Formula> (316)
C26H27F4N3O7

>  <MolWeight> (316)
569.5020928

>  <Cat> (316)
S7775

>  <Name> (316)
Emricasan (IDN-6556, PF-03491390)

>  <Synonyms> (316)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (316)
Caspase

>  <Form> (316)
Free Base

>  <CAS> (316)
254750-02-2

>  <URL> (316)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (317)
3223

>  <Formula> (317)
C24H24FN7O

>  <MolWeight> (317)
445.4920632

>  <Cat> (317)
S8292

>  <Name> (317)
Selonsertib (GS-4997)

>  <Synonyms> (317)
N/A

>  <Target> (317)
Caspase

>  <Form> (317)
Free Base

>  <CAS> (317)
1448428-04-3

>  <URL> (317)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
SIS3.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (318)
3236

>  <Formula> (318)
C28H28ClN3O3

>  <MolWeight> (318)
489.99322

>  <Cat> (318)
S7959

>  <Name> (318)
SIS3 HCl

>  <Synonyms> (318)
N/A

>  <Target> (318)
TGF-beta/Smad

>  <Form> (318)
hydrochloride

>  <CAS> (318)
521984-48-5

>  <URL> (318)
http://www.selleckchem.com/products/sis3.html

$$$$
KYA1797K.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (319)
3247

>  <Formula> (319)
C17H11KN2O6S2

>  <MolWeight> (319)
442.50734

>  <Cat> (319)
S8327

>  <Name> (319)
KYA1797K

>  <Synonyms> (319)
N/A

>  <Target> (319)
Wnt/beta-catenin

>  <Form> (319)
potassium salt

>  <CAS> (319)
1956356-56-1

>  <URL> (319)
http://www.selleckchem.com/products/kya1797k.html

$$$$
BAY-61-3606.cdx
csChFnd80/03012214202D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (320)
3250

>  <Formula> (320)
C20H20Cl2N6O3

>  <MolWeight> (320)
463.3172

>  <Cat> (320)
S7006

>  <Name> (320)
BAY-61-3606

>  <Synonyms> (320)
N/A

>  <Target> (320)
Syk

>  <Form> (320)
dihydrochloride

>  <CAS> (320)
648903-57-5

>  <URL> (320)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
LOXO-101.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (321)
3253

>  <Formula> (321)
C21H24F2N6O6S

>  <MolWeight> (321)
526.5136664

>  <Cat> (321)
S7960

>  <Name> (321)
LOXO-101(sulfate)

>  <Synonyms> (321)
N/A

>  <Target> (321)
Trk receptor

>  <Form> (321)
sulfate

>  <CAS> (321)
1223405-08-0

>  <URL> (321)
http://www.selleckchem.com/products/loxo-101.html

$$$$
LLY507.cdx
csChFnd80/03012214202D

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Epigenetic Reader Domain

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1884712-47-3

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Bcl-2

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Free Base

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1909226-00-1

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

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NVP-CGM097

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E3 Ligase

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1313363-54-0

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$$$$
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M  END
>  <Mol_ID> (326)
3296

>  <Formula> (326)
C26H24N8O2

>  <MolWeight> (326)
480.52116

>  <Cat> (326)
S8362

>  <Name> (326)
ARRY-380 (ONT-380)

>  <Synonyms> (326)
Tucatinib

>  <Target> (326)
HER2

>  <Form> (326)
Free Base

>  <CAS> (326)
937263-43-9

>  <URL> (326)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
CA-074 methyl ester.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (327)
3301

>  <Formula> (327)
C19H31N3O6

>  <MolWeight> (327)
397.46594

>  <Cat> (327)
S7420

>  <Name> (327)
CA-074 methyl ester (CA-074 Me)

>  <Synonyms> (327)
Cathepsin B Inhibitor IV

>  <Target> (327)
Cysteine Protease

>  <Form> (327)
Free Base

>  <CAS> (327)
147859-80-1

>  <URL> (327)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

$$$$
Etomoxir (Na salt).cdx
csChFnd80/03012214202D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (328)
3305

>  <Formula> (328)
C15H18ClNaO4

>  <MolWeight> (328)
320.74379

>  <Cat> (328)
S8244

>  <Name> (328)
Etomoxir (Na salt)

>  <Synonyms> (328)
N/A

>  <Target> (328)
Transferase

>  <Form> (328)
sodium salt

>  <CAS> (328)
828934-41-4

>  <URL> (328)
http://www.selleckchem.com/products/etomoxir-na-salt.html

$$$$
THZ1.cdx
csChFnd80/03012214202D

 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (329)
3323

>  <Formula> (329)
C31H30Cl3N7O2

>  <MolWeight> (329)
638.9746

>  <Cat> (329)
S7549

>  <Name> (329)
THZ1 2HCl

>  <Synonyms> (329)
N/A

>  <Target> (329)
CDK

>  <Form> (329)
dihydrochloride

>  <CAS> (329)
1604810-83-4(free base)

>  <URL> (329)
http://www.selleckchem.com/products/thz1.html

$$$$
EPZ020411.cdx
csChFnd80/03012214202D

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.2085    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9085    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4286    7.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7286    8.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6286    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3286   10.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  3  7  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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 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
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 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
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 24 25  1  0  0  0  0
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 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (330)
3330

>  <Formula> (330)
C25H40Cl2N4O3

>  <MolWeight> (330)
515.5161

>  <Cat> (330)
S7820

>  <Name> (330)
EPZ020411 2HCl

>  <Synonyms> (330)
N/A

>  <Target> (330)
Histone Methyltransferase

>  <Form> (330)
dihydrochloride

>  <CAS> (330)
1700663-41-7(free base)

>  <URL> (330)
http://www.selleckchem.com/products/epz020411.html

$$$$
1400W.cdx
csChFnd80/03012214202D

 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> (331)
3336

>  <Formula> (331)
C10H17Cl2N3

>  <MolWeight> (331)
250.16808

>  <Cat> (331)
S8337

>  <Name> (331)
1400W 2HCl

>  <Synonyms> (331)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (331)
Others

>  <Form> (331)
dihydrochloride

>  <CAS> (331)
214358-33-5

>  <URL> (331)
http://www.selleckchem.com/products/1400w.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/03012214202D

 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
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  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> (332)
3339

>  <Formula> (332)
C21H25N7O

>  <MolWeight> (332)
391.4695

>  <Cat> (332)
S8456

>  <Name> (332)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (332)
N/A

>  <Target> (332)
PI3K

>  <Form> (332)
Free Base

>  <CAS> (332)
1383716-46-8

>  <URL> (332)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/03012214202D

 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
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    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> (333)
3349

>  <Formula> (333)
C14H17Cl2N5O4S

>  <MolWeight> (333)
422.28688

>  <Cat> (333)
S8457

>  <Name> (333)
UK-371804 HCl

>  <Synonyms> (333)
UK-371804 HCl

>  <Target> (333)
Serine Protease

>  <Form> (333)
hydrochloride

>  <CAS> (333)
256476-36-5

>  <URL> (333)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
Thiomyristoyl.cdx
csChFnd80/03012214202D

 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
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    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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    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
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Thiomyristoyl

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Sirtuin

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Free Base

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1429749-41-6

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

$$$$
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C30H42N8O3

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ASP8273 (Naquotinib)

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N/A

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EGFR

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Free Base

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1448232-80-1

>  <URL> (335)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/03012214202D

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CDK

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Free Base

>  <CAS> (336)
1453834-21-3

>  <URL> (336)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/03012214202D

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>  <Formula> (337)
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>  <Name> (337)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (337)
N/A

>  <Target> (337)
BTK

>  <Form> (337)
hydrochloride

>  <CAS> (337)
1439901-97-9

>  <URL> (337)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/03012214202D

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C26H31ClN6O2

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Nazartinib (EGF816, NVS-816)

>  <Synonyms> (338)
N/A

>  <Target> (338)
EGFR

>  <Form> (338)
Free Base

>  <CAS> (338)
1508250-71-2

>  <URL> (338)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
PD-166866.cdx
csChFnd80/03012214202D

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C20H24N6O3

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>  <Cat> (339)
S8493

>  <Name> (339)
PD-166866

>  <Synonyms> (339)
N/A

>  <Target> (339)
FGFR

>  <Form> (339)
Free Base

>  <CAS> (339)
192705-79-6

>  <URL> (339)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (340)
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>  <Formula> (340)
C24H24Cl2N4O4

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S8503

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BLU-554

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N/A

>  <Target> (340)
FGFR

>  <Form> (340)
Free Base

>  <CAS> (340)
1707289-21-1

>  <URL> (340)
http://www.selleckchem.com/products/blu-554.html

$$$$
NMS-P118.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (341)
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NMS-P118

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N/A

>  <Target> (341)
PARP

>  <Form> (341)
Free Base

>  <CAS> (341)
1262417-51-5

>  <URL> (341)
http://www.selleckchem.com/products/nms-p118.html

$$$$
GSK6853.cdx
csChFnd80/03012214202D

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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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GSK180736A

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ROCK

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Free Base

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817194-38-0

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

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BAY-876.cdx
csChFnd80/03012214202D

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N/A

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GLUT

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Free Base

>  <CAS> (344)
1799753-84-6

>  <URL> (344)
http://www.selleckchem.com/products/bay-876.html

$$$$
Cl-amidine.cdx
csChFnd80/03012214202D

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Cl-amidine

>  <Synonyms> (345)
N/A

>  <Target> (345)
Immunology & Inflammation related

>  <Form> (345)
trifluoroacetate

>  <CAS> (345)
1043444-18-3

>  <URL> (345)
http://www.selleckchem.com/products/cl-amidine.html

$$$$
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csChFnd80/03012214202D

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1629268-00-3

>  <URL> (346)
http://www.selleckchem.com/products/ars-853.html

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A-196.cdx
csChFnd80/03012214202D

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A-196

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N/A

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SUV420H1,SUV420H2

>  <Form> (347)
free base

>  <CAS> (347)
1982372-88-2

>  <URL> (347)
http://www.selleckchem.com/products/a-196.html

$$$$
SGC2085.cdx
csChFnd80/03012214202D

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3411

>  <Formula> (348)
C19H24N2O2

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S8340

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SGC2085

>  <Synonyms> (348)
N/A

>  <Target> (348)
CARM1

>  <Form> (348)
free base

>  <CAS> (348)
1821908-48-8

>  <URL> (348)
http://www.selleckchem.com/products/sgc2085.html

$$$$
Omarigliptin (MK-3102).cdx
csChFnd80/03012214202D

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>  <Mol_ID> (349)
3415

>  <Formula> (349)
C17H20F2N4O3S

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>  <Cat> (349)
S8565

>  <Name> (349)
Omarigliptin (MK-3102)

>  <Synonyms> (349)
N/A

>  <Target> (349)
DPP-4

>  <Form> (349)
free base
free base

>  <CAS> (349)
1226781-44-7

>  <URL> (349)
http://www.selleckchem.com/products/omarigliptin-mk-3102.html

$$$$
INF39.cdx
csChFnd80/03012214202D

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>  <Formula> (350)
C12H13ClO2

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INF39

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N/A

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NLRP3 

>  <Form> (350)
free base

>  <CAS> (350)
866028-26-4

>  <URL> (350)
http://www.selleckchem.com/products/inf39.html

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1426138-42-2

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hydrate 

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1201913-82-7

>  <URL> (354)
http://www.selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
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http://www.selleckchem.com/products/GSK872-GSK2399872A.html

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1268454-23-4

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1802929-43-6

>  <URL> (357)
http://www.selleckchem.com/products/prn1371.html

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>  <CAS> (358)
1916571-90-8

>  <URL> (358)
http://www.selleckchem.com/products/nct-503.html

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free base

>  <CAS> (359)
761423-87-4

>  <URL> (359)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/03012214202D

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>  <Name> (360)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (360)
N/A

>  <Target> (360)
Chk2

>  <Form> (360)
free base

>  <CAS> (360)
516480-79-8

>  <URL> (360)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/03012214202D

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C22H27N7O2S

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>  <Cat> (361)
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>  <Name> (361)
LY3214996

>  <Synonyms> (361)
N/A

>  <Target> (361)
ERK1,ERK2

>  <Form> (361)
free base

>  <CAS> (361)
1951483-29-6

>  <URL> (361)
http://www.selleckchem.com/products/ly3214996.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/03012214202D

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>  <Mol_ID> (362)
3482

>  <Formula> (362)
C12H8ClI

>  <MolWeight> (362)
314.54939

>  <Cat> (362)
S8639

>  <Name> (362)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (362)
N/A

>  <Target> (362)
NADPH oxidase

>  <Form> (362)
chloride

>  <CAS> (362)
4673-26-1

>  <URL> (362)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
GNF-6231.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (363)
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C24H25FN6O2

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>  <Cat> (363)
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>  <Name> (363)
GNF-6231

>  <Synonyms> (363)
N/A

>  <Target> (363)
Porcupine

>  <Form> (363)
free base

>  <CAS> (363)
1243245-18-2

>  <URL> (363)
http://www.selleckchem.com/products/gnf-6231.html

$$$$
ACY-738.cdx
csChFnd80/03012214202D

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3541

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N/A

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p110¦Ä

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free base

>  <CAS> (369)
1425043-73-7

>  <URL> (369)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
PF-06651600.cdx
csChFnd80/03012214202D

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3556

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C15H19N5O

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PF-06651600

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N/A

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JAK3 

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free base

>  <CAS> (370)
1792180-81-4

>  <URL> (370)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
UNC0642.cdx
csChFnd80/03012214202D

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3574

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C29H44F2N6O2

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>  <Name> (371)
UNC0642

>  <Synonyms> (371)
N/A

>  <Target> (371)
G9a,GLP

>  <Form> (371)
free base

>  <CAS> (371)
1481677-78-4

>  <URL> (371)
http://www.selleckchem.com/products/unc0642.html

$$$$
SHP099.cdx
csChFnd80/03012214202D

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3583

>  <Formula> (372)
C16H20Cl3N5

>  <MolWeight> (372)
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>  <Cat> (372)
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>  <Name> (372)
SHP099 hydrochloride

>  <Synonyms> (372)
N/A

>  <Target> (372)
phosphatase

>  <Form> (372)
hydrochloride 

>  <CAS> (372)
1801747-42-1(free base)

>  <URL> (372)
http://selleckchem.com/products/shp099-dihydrochloride.html

$$$$
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csChFnd80/03012214202D

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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (373)
3591

>  <Formula> (373)
C22H26FN5O6

>  <MolWeight> (373)
475.4701432

>  <Cat> (373)
S5063

>  <Name> (373)
Trelagliptin succinate

>  <Synonyms> (373)
N/A

>  <Target> (373)
DPP-4

>  <Form> (373)
succinate

>  <CAS> (373)
1029877-94-8

>  <URL> (373)
http://selleckchem.com/products/trelagliptin-succinate.html

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/03012214202D

 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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   10.9119    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 34  2  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (374)
3622

>  <Formula> (374)
C23H38N6O6S

>  <MolWeight> (374)
526.64942

>  <Cat> (374)
S5074

>  <Name> (374)
Argatroban Monohydrate

>  <Synonyms> (374)
Argatroban hydrate, Argipidine

>  <Target> (374)
Thrombin

>  <CAS> (374)
141396-28-3

>  <URL> (374)
http://selleckchem.com/products/argatroban-monohydrate.html

$$$$
S5079 Sitagliptin.cdx
csChFnd80/03012214202D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.4915    2.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1394    4.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7253    4.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5129    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3005    4.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
 12  2  1  0  0  0  0
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  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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 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> (375)
3625

>  <Formula> (375)
C16H15F6N5O

>  <MolWeight> (375)
407.3136192

>  <Cat> (375)
S5079

>  <Name> (375)
Sitagliptin

>  <Synonyms> (375)
MK-0431

>  <Target> (375)
DPP-4

>  <Form> (375)
free base

>  <CAS> (375)
486460-32-6

>  <URL> (375)
http://selleckchem.com/products/sitagliptin.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/03012214202D

 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
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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
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  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (376)
3641

>  <Formula> (376)
C18H13BrN2O4S2

>  <MolWeight> (376)
465.34082

>  <Cat> (376)
S8652

>  <Name> (376)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (376)
N/A

>  <Target> (376)
CDK

>  <CAS> (376)
432001-69-9

>  <URL> (376)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/03012214202D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (377)
3658

>  <Formula> (377)
C23H18FN5O2

>  <MolWeight> (377)
415.4197232

>  <Cat> (377)
S8672

>  <Name> (377)
Tenalisib (RP6530)

>  <Synonyms> (377)
N/A

>  <Target> (377)
PI3K

>  <Form> (377)
free base

>  <CAS> (377)
1639417-53-0

>  <URL> (377)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/03012214202D

 33 34  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (378)
3681

>  <Formula> (378)
C20H20FKN6O5

>  <MolWeight> (378)
482.5067032

>  <Cat> (378)
S5245

>  <Name> (378)
Raltegravir potassium

>  <Synonyms> (378)
N/A

>  <Target> (378)
Integrase,HIV Protease

>  <Form> (378)
potassium salt

>  <CAS> (378)
871038-72-1

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

$$$$
Cu-CPT22.cdx
csChFnd80/03012214202D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (379)
3687

>  <Formula> (379)
C19H22O7

>  <MolWeight> (379)
362.37378

>  <Cat> (379)
S8677

>  <Name> (379)
Cu-CPT22

>  <Synonyms> (379)
N/A

>  <Target> (379)
TLR

>  <Form> (379)
free base

>  <CAS> (379)
1416324-85-0

>  <URL> (379)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/03012214202D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (380)
3720

>  <Formula> (380)
C26H27N3O5S

>  <MolWeight> (380)
493.57468

>  <Cat> (380)
S5402

>  <Synonyms> (380)
N/A

>  <Target> (380)
HCV Protease

>  <Form> (380)
free base

>  <CAS> (380)
1132935-63-7

>  <URL> (380)
http://selleckchem.com/products/dasabuvir-abt-333.html

$$$$
AZD1390.cdx
csChFnd80/03012214202D

 35 39  0  0  0  0  0  0  0  0999 V2000
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ATM/ATR

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free base

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2049868-46-2

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bpV (HOpic)

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>  <Target> (383)
PTEN

>  <Form> (383)
potassium 

>  <CAS> (383)
722494-26-0

>  <URL> (383)
http://selleckchem.com/products/bpv-hopic.html

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free base

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1708971-55-4

>  <URL> (384)
http://selleckchem.com/products/fgf401.html

$$$$
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M  END
>  <Mol_ID> (385)
3815

>  <Formula> (385)
C24H24F3N5O5S3

>  <MolWeight> (385)
615.6680696

>  <Cat> (385)
S5069

>  <Name> (385)
Dabrafenib Mesylate

>  <Synonyms> (385)
GSK2118436 Mesylate

>  <Target> (385)
Raf

>  <Form> (385)
mesylate

>  <CAS> (385)
1195768-06-9

>  <URL> (385)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (386)
3944

>  <Formula> (386)
C24H35ClO9

>  <MolWeight> (386)
502.9823

>  <Cat> (386)
S5566

>  <Name> (386)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (386)
N/A

>  <Target> (386)
SGLT

>  <Form> (386)
monohydrate

>  <CAS> (386)
960404-48-2

>  <URL> (386)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/03012214202D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (387)
4012

>  <Formula> (387)
C22H25ClO7

>  <MolWeight> (387)
436.8827

>  <Cat> (387)
S5413

>  <Name> (387)
Ertugliflozin

>  <Synonyms> (387)
PF-04971729?

>  <Target> (387)
SGLT2

>  <Form> (387)
free base

>  <CAS> (387)
1210344-57-2

>  <URL> (387)
http://selleckchem.com/products/.html

$$$$
BMS-986205.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (388)
4014

>  <Formula> (388)
C24H24ClFN2O

>  <MolWeight> (388)
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>  <Cat> (388)
S8629

>  <Synonyms> (388)
N/A

>  <Target> (388)
IDO1

>  <Form> (388)
free base

>  <CAS> (388)
1923833-60-6

>  <URL> (388)
http://selleckchem.com/products/.html

$$$$
CCT245737.cdx
csChFnd80/03012214202D

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>  <Mol_ID> (389)
4025

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CCT245737 

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Chk

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free base

>  <CAS> (389)
1489389-18-5

>  <URL> (389)
http://www.selleckchem.com/products/cct245737.html

$$$$
S5623 Bedaquiline.cdx
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C32H31BrN2O2

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Bedaquiline

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TMC207; R207910

>  <Target> (390)
tuberculosis

>  <Form> (390)
free base

>  <CAS> (390)
843663-66-1

>  <URL> (390)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/03012214202D

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4041

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C30H34N8O3

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>  <Cat> (391)
S8724

>  <Name> (391)
Lazertinib (YH25448,GNS-1480)

>  <Form> (391)
free base

>  <CAS> (391)
1903008-80-9

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/03012214202D

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S9360

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4-Hydroxyquinazoline

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free base

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491-36-1

$$$$

csChFnd80/03012214202D

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4147

>  <Formula> (393)
C9H12N2O4S

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S5837

>  <Name> (393)
BRL-50481

>  <Synonyms> (393)
N/A

>  <Target> (393)
PDE

>  <Form> (393)
Free Base

>  <CAS> (393)
433695-36-4

>  <URL> (393)
http://www.selleckchem.com/products/brl-50481.html

$$$$

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>  <Formula> (394)
C48H52F2O11S2

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>  <Cat> (394)
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>  <Name> (394)
Canagliflozin hemihydrate

>  <Synonyms> (394)
N/A

>  <Target> (394)
SGLT

>  <Form> (394)
hemihydrate

>  <CAS> (394)
928672-86-0

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

$$$$

csChFnd80/03012214202D

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4174

>  <Formula> (395)
C16H15N3O3

>  <MolWeight> (395)
297.3086

>  <Cat> (395)
S5903

>  <Name> (395)
JANEX-1

>  <Synonyms> (395)
WHI-P131

>  <Target> (395)
JAK

>  <Form> (395)
Free Base

>  <CAS> (395)
202475-60-3

>  <URL> (395)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/03012214202D

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4180

>  <Formula> (396)
C19H25N7O2

>  <MolWeight> (396)
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>  <Cat> (396)
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N/A

>  <Target> (396)
DPP-4

>  <Form> (396)
Free Base

>  <CAS> (396)
739366-20-2

>  <URL> (396)
http://www.selleckchem.com/products/anagliptin.html

$$$$

csChFnd80/03012214202D

 29 32  0  0  0  0  0  0  0  0999 V2000
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4185

>  <Formula> (397)
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>  <MolWeight> (397)
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N/A

>  <Target> (397)
Epigenetic Reader Do

>  <Form> (397)
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>  <CAS> (397)
901245-65-6

>  <URL> (397)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

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    4.8497    2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1789    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
  9 10  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (398)
4193

>  <Formula> (398)
C17H27Cl2NO

>  <MolWeight> (398)
332.30838

>  <Cat> (398)
S5926

>  <Name> (398)
Pitolisant hydrochloride

>  <Synonyms> (398)
Tiprolisant hydrochloride, BF-2649 HCl

>  <Target> (398)
Histamine Receptor

>  <Form> (398)
hydrochloride

>  <CAS> (398)
903576-44-3

>  <URL> (398)
http://www.selleckchem.com/products/pitolisant-hydrochloride.html

$$$$

csChFnd80/03012214202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.9089    1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3426    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2574    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  8 17  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (399)
4199

>  <Formula> (399)
C13H15N3O2S

>  <MolWeight> (399)
277.3421

>  <Cat> (399)
S5933

>  <Name> (399)
K 858

>  <Synonyms> (399)
N/A

>  <Target> (399)
Kinesin

>  <Form> (399)
Free Base

>  <CAS> (399)
72926-24-0

>  <URL> (399)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/03012214202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230    3.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9160    3.4986    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1270    1.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7730    3.4963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9160    4.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 26 30  1  0  0  0  0
 20 24  1  0  0  0  0
 16 17  1  0  0  0  0
  7 16  1  0  0  0  0
  5  6  1  0  0  0  0
  2  5  1  0  0  0  0
 20 31  1  6  0  0  0
M  END
>  <Mol_ID> (400)
4200

>  <Formula> (400)
C25H32N2O4

>  <MolWeight> (400)
424.53258

>  <Cat> (400)
S5935

>  <Name> (400)
Alvimopan

>  <Synonyms> (400)
LY 246736, ADL 8-2698

>  <Target> (400)
Opioid Receptor

>  <Form> (400)
Free Base

>  <CAS> (400)
156053-89-3

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

$$$$

csChFnd80/03012214202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 11 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 11  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (401)
4210

>  <Formula> (401)
C24H28N4O3

>  <MolWeight> (401)
420.50412

>  <Cat> (401)
S8556

>  <Name> (401)
AZ31

>  <Synonyms> (401)
N/A

>  <Target> (401)
ATM/ATR

>  <Form> (401)
Free Base

>  <CAS> (401)
2088113-98-6

>  <URL> (401)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/03012214202D

 22 26  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (402)
4212

>  <Formula> (402)
C16H15FN4O

>  <MolWeight> (402)
298.3149032

>  <Cat> (402)
S8592

>  <Name> (402)
Pamiparib (BGB-290)

>  <Synonyms> (402)
N/A

>  <Target> (402)
PARP

>  <Form> (402)
Free Base

>  <CAS> (402)
1446261-44-4

>  <URL> (402)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/03012214202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5201    6.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4278    8.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
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 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (403)
4214

>  <Formula> (403)
C13H12ClN3O2

>  <MolWeight> (403)
277.70628

>  <Cat> (403)
S8641

>  <Name> (403)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (403)
Necrostatin-1 stable

>  <Target> (403)
TNF-alpha

>  <Form> (403)
Free Base

>  <CAS> (403)
852391-15-2

>  <URL> (403)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/03012214202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8492    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    1.5876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (404)
4222

>  <Formula> (404)
C18H18FN5O2S

>  <MolWeight> (404)
387.4312232

>  <Cat> (404)
S8727

>  <Name> (404)
Atuveciclib (BAY-1143572)

>  <Synonyms> (404)
N/A

>  <Target> (404)
CDK

>  <Form> (404)
Free Base

>  <CAS> (404)
1414943-88-6

>  <URL> (404)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/03012214202D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 18 13  1  0  0  0  0
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 21 18  1  0  0  0  0
 15 22  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (405)
4226

>  <Formula> (405)
C26H26FN7O2

>  <MolWeight> (405)
487.5287432

>  <Cat> (405)
S8741

>  <Name> (405)
Avitinib (AC0010)

>  <Synonyms> (405)
N/A

>  <Target> (405)
EGFR

>  <Form> (405)
Free Base

>  <CAS> (405)
1557267-42-1

>  <URL> (405)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/03012214202D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 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 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (406)
4228

>  <Formula> (406)
C25H25F3N4O4

>  <MolWeight> (406)
502.4856096

>  <Cat> (406)
S8745

>  <Name> (406)
LXH254

>  <Synonyms> (406)
N/A

>  <Target> (406)
Raf

>  <Form> (406)
Free Base

>  <CAS> (406)
1800398-38-2

>  <URL> (406)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/03012214202D

 53 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (407)
4235

>  <Formula> (407)
C43H42N4O6

>  <MolWeight> (407)
710.81678

>  <Cat> (407)
S8759

>  <Name> (407)
S55746 (S 055746,BCL201)

>  <Synonyms> (407)
N/A

>  <Target> (407)
Bcl-2

>  <Form> (407)
Free Base

>  <CAS> (407)
1448584-12-0

>  <URL> (407)
http://www.selleckchem.com/products/s55746-s055746-bcl201.html

$$$$
S5701 Alvimopan dihydrate.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (408)
4504

>  <Formula> (408)
C25H36N2O6

>  <MolWeight> (408)
460.56314

>  <Cat> (408)
S5701

>  <Name> (408)
Alvimopan dihydrate

>  <Target> (408)
Others

>  <Form> (408)
free base

>  <CAS> (408)
170098-38-1 

>  <URL> (408)
http://selleckchem.com/products/.html

$$$$
S9500 Valbenazine tosylate.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (409)
4505

>  <Formula> (409)
C38H54N2O10S2

>  <MolWeight> (409)
762.97276

>  <Cat> (409)
S9500

>  <Name> (409)
Valbenazine tosylate

>  <Form> (409)
free base

>  <CAS> (409)
1639208-54-0

$$$$
GI254023X.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (410)
4632

>  <Formula> (410)
C21H33N3O4

>  <MolWeight> (410)
391.50442

>  <Cat> (410)
S8660

>  <Name> (410)
GI254023X

>  <Synonyms> (410)
GI 4023

>  <Target> (410)
Immunology & Inflammation related

>  <Form> (410)
free base

>  <CAS> (410)
260264-93-5

>  <URL> (410)
http://selleckchem.com/products/gi254023x.html

$$$$
S5476 Rolapitant.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (411)
4648

>  <Formula> (411)
C25H26F6N2O2

>  <MolWeight> (411)
500.4765592

>  <Cat> (411)
S5476

>  <Name> (411)
Rolapitant

>  <Target> (411)
NK1-receptor

>  <CAS> (411)
552292-08-7

>  <URL> (411)
https://www.selleckchem.com/products/rolapitant.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (412)
4651

>  <Formula> (412)
C21H19N3O5

>  <MolWeight> (412)
393.39266

>  <Cat> (412)
S5667

>  <Name> (412)
Fruquintinib

>  <Target> (412)
VEGFRs

>  <CAS> (412)
1194506-26-7

>  <URL> (412)
https://www.selleckchem.com/products/fruquintinib.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/03012214202D

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M  END
>  <Mol_ID> (413)
4652

>  <Formula> (413)
C20H21N3O2

>  <MolWeight> (413)
335.39964

>  <Cat> (413)
S8049

>  <Name> (413)
Tubastatin A

>  <Target> (413)
others

>  <CAS> (413)
1252003-15-8

>  <URL> (413)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/03012214202D

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 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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>  <Mol_ID> (414)
4686

>  <Formula> (414)
C29H37N7O5S

>  <MolWeight> (414)
595.71298

>  <Cat> (414)
S5078

>  <Name> (414)
Osimertinib mesylate

>  <Synonyms> (414)
AZD9291 mesylate

>  <Target> (414)
EGFR

>  <Form> (414)
mesylate

>  <CAS> (414)
1421373-66-1

>  <URL> (414)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/03012214202D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 12 15  1  0  0  0  0
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M  END
>  <Mol_ID> (415)
4723

>  <Formula> (415)
C16H16N4O2S2

>  <MolWeight> (415)
360.45384

>  <Cat> (415)
S5696

>  <Name> (415)
JNJ0966

>  <Synonyms> (415)
N/A

>  <Target> (415)
Others

>  <Form> (415)
Free Base

>  <CAS> (415)
315705-75-0

>  <URL> (415)
http://www.selleckchem.com/products/jnj0966.html

$$$$

csChFnd80/03012214202D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (416)
4787

>  <Formula> (416)
C12H13N

>  <MolWeight> (416)
171.23832

>  <Cat> (416)
S5795

>  <Name> (416)
Rasagiline

>  <Synonyms> (416)
TVP-1012

>  <Target> (416)
MAO

>  <Form> (416)
Free Base

>  <CAS> (416)
136236-51-6

>  <URL> (416)
http://www.selleckchem.com/products/rasagiline.html

$$$$

csChFnd80/03012214202D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (417)
4804

>  <Formula> (417)
C21H16FN7O

>  <MolWeight> (417)
401.3964432

>  <Cat> (417)
S5818

>  <Name> (417)
acalisib (GS-9820)

>  <Synonyms> (417)
CAL-120

>  <Target> (417)
PI3K

>  <Form> (417)
Free Base

>  <CAS> (417)
870281-34-8

>  <URL> (417)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/03012214202D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (418)
4805

>  <Formula> (418)
C25H29N3O3

>  <MolWeight> (418)
419.51606

>  <Cat> (418)
S5819

>  <Name> (418)
MRE-269(ACT-333679) 

>  <Synonyms> (418)
N/A

>  <Target> (418)
Immunology & Inflamm

>  <Form> (418)
Free Base

>  <CAS> (418)
475085-57-5

>  <URL> (418)
http://www.selleckchem.com/products/mre-269-act-333679.html

$$$$

csChFnd80/03012214202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2047    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
    1.2165    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    4.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    4.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    4.9047    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3455    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9455    0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6791    1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9298    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9298    3.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7207    4.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4934    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1178    1.4526    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7207    5.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9302    6.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9302    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7159    8.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5037    7.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5037    6.3598    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
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 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 14  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (419)
4821

>  <Formula> (419)
C18H13F2N3O3S

>  <MolWeight> (419)
389.3759264

>  <Cat> (419)
S8776

>  <Name> (419)
WM-1119

>  <Synonyms> (419)
N/A

>  <Target> (419)
Histone Acetyltransf

>  <Form> (419)
Free Base

>  <CAS> (419)
2055397-28-7

>  <URL> (419)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/03012214202D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    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
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 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> (420)
4822

>  <Formula> (420)
C25H27N5O2

>  <MolWeight> (420)
429.51418

>  <Cat> (420)
S8777

>  <Name> (420)
Evobrutinib

>  <Synonyms> (420)
M-2951, MSC-2364447C

>  <Target> (420)
BTK

>  <Form> (420)
Free Base

>  <CAS> (420)
1415823-73-2

>  <URL> (420)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/03012214202D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7000    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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 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
    0.5124    2.9876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
  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
 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 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
 29 31  1  0  0  0  0
 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> (421)
4825

>  <Formula> (421)
C22H21F3N6O2

>  <MolWeight> (421)
458.4363496

>  <Cat> (421)
S8801

>  <Name> (421)
CC-90003

>  <Synonyms> (421)
N/A

>  <Target> (421)
ERK

>  <Form> (421)
Free Base

>  <CAS> (421)
1621999-82-3

>  <URL> (421)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/03012214202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   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
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    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 12 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (422)
4827

>  <Formula> (422)
C17H13ClN2O3

>  <MolWeight> (422)
328.74972

>  <Cat> (422)
S8813

>  <Name> (422)
LIT-927

>  <Synonyms> (422)
N/A

>  <Target> (422)
CXCR

>  <Form> (422)
Free Base

>  <CAS> (422)
2172879-52-4

>  <URL> (422)
http://www.selleckchem.com/products/lit-927.html

$$$$

csChFnd80/03012214202D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.6406    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    6.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    7.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    8.3584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.6258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Synonyms> (423)
N/A

>  <Target> (423)
c-Met

>  <Form> (423)
free base

>  <CAS> (423)
1116743-46-4

>  <URL> (423)
http://www.selleck.cn/products/sar125844.html

$$$$

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M  END
>  <Mol_ID> (424)
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>  <Formula> (424)
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>  <MolWeight> (424)
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>  <Cat> (424)
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>  <Name> (424)
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>  <Synonyms> (424)
N/A

>  <Target> (424)
Epigenetic Reader Do

>  <Form> (424)
free base

>  <CAS> (424)
1799711-21-9

>  <URL> (424)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/03012214202D

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M  END
>  <Mol_ID> (425)
5131

>  <Formula> (425)
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>  <MolWeight> (425)
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>  <Cat> (425)
S8787

>  <Name> (425)
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>  <Synonyms> (425)
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>  <Target> (425)
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>  <Form> (425)
free base

>  <CAS> (425)
2226735-55-1

>  <URL> (425)
http://www.selleck.cn/products/gsk547.html

$$$$

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M  END
>  <Mol_ID> (426)
5188

>  <Formula> (426)
C14H12F6N2O

>  <MolWeight> (426)
338.2482992

>  <Cat> (426)
S8822

>  <Name> (426)
LGD-4033(VK-5211)

>  <Synonyms> (426)
N/A

>  <Target> (426)
Androgen Receptor

>  <Form> (426)
Free Base

>  <CAS> (426)
1165910-22-4

>  <URL> (426)
http://www.selleck.cn/products/lgd-4033-vk-5211.html

$$$$

csChFnd80/03012214202D

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M  END
>  <Mol_ID> (427)
5201

>  <Formula> (427)
C27H27N7O2S

>  <MolWeight> (427)
513.61398

>  <Cat> (427)
S2684

>  <Name> (427)
CX-5461

>  <Synonyms> (427)
N/A

>  <Target> (427)
DNA/RNA Synthesis

>  <Form> (427)
Free Base

>  <CAS> (427)
1138549-36-6

>  <URL> (427)
http://www.selleck.cn/products/cx-5461.html

$$$$

csChFnd80/03012214202D

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M  END
>  <Mol_ID> (428)
5248

>  <Formula> (428)
C34H36FN5O2

>  <MolWeight> (428)
565.6803432

>  <Cat> (428)
S6416

>  <Name> (428)
JNJ 31020028

>  <Synonyms> (428)
N/A

>  <Target> (428)
Others

>  <Form> (428)
Free Base

>  <CAS> (428)
1094873-14-9

>  <URL> (428)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/03012214202D

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>  <Mol_ID> (429)
5307

>  <Formula> (429)
C31H39N7O2

>  <MolWeight> (429)
541.68706

>  <Cat> (429)
S7164

>  <Name> (429)
GSK343

>  <Synonyms> (429)
N/A

>  <Target> (429)
Histone Methyltransf

>  <Form> (429)
Free Base

>  <CAS> (429)
1346704-33-3

>  <URL> (429)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/03012214202D

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    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
    5.2673    7.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6367    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   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
    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> (430)
5310

>  <Formula> (430)
C19H18N4O3

>  <MolWeight> (430)
350.37122

>  <Cat> (430)
S8684

>  <Name> (430)
Selective JAK3 inhibitor 1

>  <Synonyms> (430)
N/A

>  <Target> (430)
JAK

>  <Form> (430)
Free Base

>  <CAS> (430)
1443235-95-7

>  <URL> (430)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/03012214202D

 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
    1.3923    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (431)
5311

>  <Formula> (431)
C23H20FN7O

>  <MolWeight> (431)
429.4496032

>  <Cat> (431)
S8693

>  <Name> (431)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (431)
N/A

>  <Target> (431)
PI3K

>  <Form> (431)
Free Base

>  <CAS> (431)
2088525-31-7

>  <URL> (431)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/03012214202D

 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
    4.7169    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2921    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2921    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045   10.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169   10.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.1418   12.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294   12.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (432)
5318

>  <Formula> (432)
C27H29N5O3

>  <MolWeight> (432)
471.55086

>  <Cat> (432)
S8791

>  <Name> (432)
Zanubrutinib (BGB-3111)

>  <Synonyms> (432)
N/A

>  <Target> (432)
BTK

>  <Form> (432)
Free Base

>  <CAS> (432)
1691249-45-2

>  <URL> (432)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

csChFnd80/03012214202D

 38 42  0  0  0  0  0  0  0  0999 V2000
    3.8249   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.8249   12.0524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.4622    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   12.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   12.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   12.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    7.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    8.5524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995   10.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    9.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    8.5524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8466    7.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4161    6.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8084    6.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7452    5.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.1146    5.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5555    2.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1229    0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
 24 25  1  0  0  0  0
 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
 35 36  1  0  0  0  0
 32 35  1  0  0  0  0
 28 29  1  0  0  0  0
 16 24  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (433)
6618

>  <Formula> (433)
C29H24F3N5O

>  <MolWeight> (433)
515.5289696

>  <Cat> (433)
S6538

>  <Name> (433)
B-Raf IN 1

>  <Synonyms> (433)
N/A

>  <Target> (433)
Raf

>  <Form> (433)
free base

>  <CAS> (433)
950736-05-7

>  <URL> (433)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/03012214202D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 36 40  2  0  0  0  0
M  END
>  <Mol_ID> (434)
6622

>  <Formula> (434)
C28H28F3N5O4

>  <MolWeight> (434)
555.5482296

>  <Cat> (434)
S6545

>  <Name> (434)
BI-4464

>  <Synonyms> (434)
N/A

>  <Target> (434)
FAK

>  <Form> (434)
free base

>  <CAS> (434)
1227948-02-8

>  <URL> (434)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/03012214202D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (435)
6654

>  <Formula> (435)
C18H23ClN4O

>  <MolWeight> (435)
346.85442

>  <Cat> (435)
S8438

>  <Name> (435)
T-3775440 HCl

>  <Synonyms> (435)
N/A

>  <Target> (435)
Histone Demethylase

>  <Form> (435)
HCl

>  <CAS> (435)
1422535-52-1

>  <URL> (435)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/03012214202D

 33 38  0  0  0  0  0  0  0  0999 V2000
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  1 10  1  0  0  0  0
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 29 32  1  0  0  0  0
 25 33  1  0  0  0  0
M  END
>  <Mol_ID> (436)
6655

>  <Formula> (436)
C21H17N9O2S

>  <MolWeight> (436)
459.48378

>  <Cat> (436)
S8676

>  <Name> (436)
Glumetinib

>  <Synonyms> (436)
N/A

>  <Target> (436)
c-Met

>  <Form> (436)
free base

>  <CAS> (436)
1642581-63-2

>  <URL> (436)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/03012214202D

 37 40  0  0  0  0  0  0  0  0999 V2000
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N/A

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Estrogen/progestogen

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free base

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2052128-15-9

>  <URL> (437)
http://www.selleck.cn/products/h3b-5942.html

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6663

>  <Formula> (438)
C20H12F2N6

>  <MolWeight> (438)
374.3462864

>  <Cat> (438)
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>  <Name> (438)
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>  <Synonyms> (438)
N/A

>  <Target> (438)
c-Met

>  <Form> (438)
free base

>  <CAS> (438)
943540-74-7

>  <URL> (438)
http://www.selleck.cn/products/jnj-38877618.html

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csChFnd80/03012214202D

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6665

>  <Formula> (439)
C21H31N5O2

>  <MolWeight> (439)
385.50314

>  <Cat> (439)
S8864

>  <Name> (439)
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>  <Synonyms> (439)
N/A

>  <Target> (439)
Serine/threonin kina

>  <Form> (439)
free base

>  <CAS> (439)
2328073-61-4

>  <URL> (439)
http://www.selleck.cn/products/zt-12-037-01.html

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csChFnd80/03012214202D

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>  <Formula> (440)
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>  <MolWeight> (440)
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>  <Cat> (440)
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>  <Name> (440)
GSK8612

>  <Synonyms> (440)
N/A

>  <Target> (440)
Serine/threonin kina

>  <Form> (440)
free base

>  <CAS> (440)
2361659-62-1

>  <URL> (440)
http://www.selleck.cn/products/gsk8612.html

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6688

>  <Formula> (441)
C14H15NO5S

>  <MolWeight> (441)
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>  <Cat> (441)
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>  <Name> (441)
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>  <Synonyms> (441)
N/A

>  <Target> (441)
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>  <Form> (441)
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>  <CAS> (441)
288628-05-7

>  <URL> (441)
http://www.selleck.cn/products/irosustat.html

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2230820-11-6

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http://www.selleck.cn/products/azd7648.html

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6796

>  <Formula> (450)
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>  <Cat> (450)
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>  <Name> (450)
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>  <Synonyms> (450)
N/A

>  <Target> (450)
Others

>  <Form> (450)
Free Base

>  <CAS> (450)
1562338-42-4

>  <URL> (450)
http://www.selleck.cn/products/branaplam-lmi070.html

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csChFnd80/03012214202D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (451)
6821

>  <Formula> (451)
C25H20N4O2

>  <MolWeight> (451)
408.4519

>  <Cat> (451)
S6658

>  <Name> (451)
ETC-206

>  <Synonyms> (451)
ETC-1907206

>  <Target> (451)
MNK

>  <Form> (451)
Free Base

>  <CAS> (451)
1464151-33-4

>  <URL> (451)
http://www.selleck.cn/products/etc-206.html

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csChFnd80/03012214202D

 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
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  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
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  3 13  1  0  0  0  0
M  END
>  <Mol_ID> (452)
6879

>  <Formula> (452)
C10H7IN2

>  <MolWeight> (452)
282.08045

>  <Cat> (452)
S2643

>  <Name> (452)
4-IPP

>  <Synonyms> (452)
4-Iodo-6-phenylpyrimidine

>  <Target> (452)
Immunology & Inflammation related

>  <Form> (452)
Free Base

>  <CAS> (452)
41270-96-6

>  <URL> (452)
http://www.selleck.cn/products/4-ipp.html

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csChFnd80/03012214202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8474    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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>  <Mol_ID> (453)
6881

>  <Formula> (453)
C12H11N3O

>  <MolWeight> (453)
213.23524

>  <Cat> (453)
S2645

>  <Name> (453)
SIB 1757

>  <Synonyms> (453)
N/A

>  <Target> (453)
GluR

>  <Form> (453)
Free Base

>  <CAS> (453)
31993-01-8

>  <URL> (453)
http://www.selleck.cn/products/sib-1757.html

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csChFnd80/03012214202D

 26 29  0  0  0  0  0  0  0  0999 V2000
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6884

>  <Formula> (454)
C18H16Cl2N4O2

>  <MolWeight> (454)
391.25124

>  <Cat> (454)
S8944

>  <Name> (454)
G150

>  <Synonyms> (454)
N/A

>  <Target> (454)
Others

>  <Form> (454)
Free Base

>  <CAS> (454)
2369751-30-2

>  <URL> (454)
http://www.selleck.cn/products/g150.html

$$$$

csChFnd80/03012214202D

 21 22  0  0  0  0  0  0  0  0999 V2000
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6901

>  <Formula> (455)
C15H11ClF3NO

>  <MolWeight> (455)
313.7021496

>  <Cat> (455)
S8951

>  <Name> (455)
TED-347

>  <Synonyms> (455)
N/A

>  <Target> (455)
Hippo pathway

>  <Form> (455)
Free Base

>  <CAS> (455)
2378626-29-8

>  <URL> (455)
http://www.selleckchem.com/products/ted-347.html

$$$$

csChFnd80/03012214202D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   11.0381    2.9827    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 18 23  2  0  0  0  0
 21 24  1  0  0  0  0
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>  <Formula> (456)
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>  <Cat> (456)
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>  <Synonyms> (456)
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COX

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188817-13-2

>  <URL> (456)
http://www.selleckchem.com/products/sc-560.html

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csChFnd80/03012214202D

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  4  7  1  0  0  0  0
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  4 11  1  0  0  0  0
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>  <Formula> (457)
C11H15N3O2S

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>  <Cat> (457)
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Verdiperstat

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>  <Form> (457)
free base

>  <CAS> (457)
890655-80-8

>  <URL> (457)
http://www.selleckchem.com/products/verdiperstat.html

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csChFnd80/03012214202D

 32 34  0  0  0  0  0  0  0  0999 V2000
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7097

>  <Formula> (458)
C22H22F3N3O4

>  <MolWeight> (458)
449.4229896

>  <Cat> (458)
S0709

>  <Name> (458)
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>  <Target> (458)
HDAC

>  <Form> (458)
trifluoroacetate

>  <CAS> (458)
1239262-52-2

>  <URL> (458)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

csChFnd80/03012214202D

 32 36  0  0  0  0  0  0  0  0999 V2000
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7252

>  <Formula> (459)
C25H27N5O2

>  <MolWeight> (459)
429.51418

>  <Cat> (459)
S8574

>  <Name> (459)
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>  <Target> (459)
Epigenetic Reader Do

>  <Form> (459)
free base

>  <CAS> (459)
1660117-38-3

>  <URL> (459)
http://www.selleckchem.com/products/bi894999.html

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csChFnd80/03012214202D

 34 37  0  0  0  0  0  0  0  0999 V2000
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   14.7191    4.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 29  1  0  0  0  0
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 11  5  1  6  0  0  0
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 12  6  1  1  0  0  0
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 10 26  3  0  0  0  0
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 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 26  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 30  1  0  0  0  0
 28 32  1  0  0  0  0
 30 33  2  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (460)
7256

>  <Formula> (460)
C24H33ClN6O2S

>  <MolWeight> (460)
505.07582

>  <Cat> (460)
S8783

>  <Name> (460)
JSH-150

>  <Target> (460)
CDK

>  <Form> (460)
free base

>  <CAS> (460)
2247481-21-4

>  <URL> (460)
http://www.selleckchem.com/products/jsh-150.html

$$$$

csChFnd80/03012214202D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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> (461)
7277

>  <Formula> (461)
C26H25N3O3

>  <MolWeight> (461)
427.495

>  <Cat> (461)
S9600

>  <Name> (461)
Orelabrutinib

>  <Target> (461)
BTK

>  <Form> (461)
free base

>  <CAS> (461)
1655504-04-3

>  <URL> (461)
http://www.selleckchem.com/products/orelabrutinib.html

$$$$

csChFnd80/03012214202D

 28 32  0  0  0  0  0  0  0  0999 V2000
    3.7978    8.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981    6.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8518    7.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  1  0  0  0
 20 25  1  1  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 11  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
>  <Mol_ID> (462)
7295

>  <Formula> (462)
C21H25N5O2

>  <MolWeight> (462)
379.4555

>  <Cat> (462)
S9694

>  <Name> (462)
MLi-2

>  <Target> (462)
Others

>  <Form> (462)
free base

>  <CAS> (462)
1627091-47-7

>  <URL> (462)
http://www.selleckchem.com/products/mli-2.html

$$$$

csChFnd80/03012214202D

 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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  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  6  0  0  0
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  2 14  1  0  0  0  0
 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
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 20 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (463)
8099

>  <Formula> (463)
C19H23N5O

>  <MolWeight> (463)
337.41882

>  <Cat> (463)
S0008

>  <Name> (463)
IRAK4-IN-1

>  <Synonyms> (463)
Compound 23

>  <Target> (463)
IRAK

>  <Form> (463)
Free Base

>  <CAS> (463)
1820787-94-7

>  <URL> (463)
http://www.selleckchem.com/products/irak4-in-1.html

$$$$

csChFnd80/03012214202D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (464)
8101

>  <Formula> (464)
C23H25N3O4S2

>  <MolWeight> (464)
471.5923

>  <Cat> (464)
S0050

>  <Name> (464)
ML277

>  <Synonyms> (464)
CID-53347902

>  <Target> (464)
Potassium Channel

>  <Form> (464)
Free Base

>  <CAS> (464)
1401242-74-7

>  <URL> (464)
http://www.selleckchem.com/products/ml277.html

$$$$

csChFnd80/03012214202D

 35 37  0  0  0  0  0  0  0  0999 V2000
   15.7707    6.1150    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1188    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9831    6.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
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 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> (465)
8164

>  <Formula> (465)
C21H17F4N2O7P

>  <MolWeight> (465)
516.3362538

>  <Cat> (465)
S1335

>  <Name> (465)
VX-150

>  <Synonyms> (465)
EOS-62073

>  <Target> (465)
Sodium Channel

>  <Form> (465)
Free Base

>  <CAS> (465)
1793080-72-4

>  <URL> (465)
http://www.selleckchem.com/products/vx-150.html

$$$$

csChFnd80/03012214202D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    6.0622   14.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  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
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 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 23  2  0  0  0  0
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 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (466)
8176

>  <Formula> (466)
C21H19N3O2

>  <MolWeight> (466)
345.39446

>  <Cat> (466)
S4462

>  <Name> (466)
CYM-5520

>  <Synonyms> (466)
N/A

>  <Target> (466)
S1P Receptor

>  <Form> (466)
Free Base

>  <CAS> (466)
1449747-00-5

>  <URL> (466)
http://www.selleckchem.com/products/cym-5520.html

$$$$

csChFnd80/03012214202D

 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
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  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
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 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> (467)
8178

>  <Formula> (467)
C15H11Cl2NO4

>  <MolWeight> (467)
340.15814

>  <Cat> (467)
S6070

>  <Name> (467)
CBA (TRPM4-IN-5)

>  <Synonyms> (467)
Compound 5, TRPM4 inhibitor 5

>  <Target> (467)
TRP Channel

>  <Form> (467)
Free Base

>  <CAS> (467)
351424-20-9

>  <URL> (467)
http://www.selleckchem.com/products/cba-trpm4-in-1.html

$$$$

csChFnd80/03012214202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
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  3  8  1  0  0  0  0
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  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> (468)
8183

>  <Formula> (468)
C16H14N4O

>  <MolWeight> (468)
278.30856

>  <Cat> (468)
S6389

>  <Name> (468)
CPI-455

>  <Synonyms> (468)
N/A

>  <Target> (468)
Histone Demethylase

>  <Form> (468)
Free Base

>  <CAS> (468)
1628208-23-0

>  <URL> (468)
http://www.selleckchem.com/products/cpi-455.html

$$$$

csChFnd80/03012214202D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   11.4956    5.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (469)
8191

>  <Formula> (469)
C19H23ClN2O

>  <MolWeight> (469)
330.85172

>  <Cat> (469)
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>  <Name> (469)
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>  <Synonyms> (469)
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>  <Target> (469)
DUB

>  <Form> (469)
Free Base

>  <CAS> (469)
670270-31-2

>  <URL> (469)
http://www.selleckchem.com/products/iu1-47.html

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csChFnd80/03012214202D

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  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
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M  END
>  <Mol_ID> (470)
8203

>  <Formula> (470)
C11H20ClNO3S

>  <MolWeight> (470)
281.7994

>  <Cat> (470)
S9782

>  <Name> (470)
Sulfopin

>  <Synonyms> (470)
PIN1-3

>  <Target> (470)
Others

>  <Form> (470)
Free Base

>  <CAS> (470)
2451481-08-4

>  <URL> (470)
http://www.selleckchem.com/products/sulfopin.html

$$$$

csChFnd80/03012214202D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (471)
8213

>  <Formula> (471)
C19H12Cl3N3OS

>  <MolWeight> (471)
436.74208

>  <Cat> (471)
S9914

>  <Name> (471)
CITCO

>  <Synonyms> (471)
N/A

>  <Form> (471)
Free Base

>  <CAS> (471)
338404-52-7

>  <URL> (471)
http://www.selleckchem.com/products/citco.html

$$$$

csChFnd80/03012214202D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 36  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <Mol_ID> (472)
8232

>  <Formula> (472)
C27H36N6O4

>  <MolWeight> (472)
508.61254

>  <Cat> (472)
E0049

>  <Name> (472)
Pizuglanstat (TAS-205)

>  <Synonyms> (472)
N/A

>  <Target> (472)
PGDS

>  <Form> (472)
Free Base

>  <CAS> (472)
1244967-98-3

>  <URL> (472)
http://www.selleckchem.com/products/pizuglanstat.html

$$$$

csChFnd80/03012214202D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   12.1272    4.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 23  1  0  0  0  0
  9  3  1  1  0  0  0
  3 14  1  0  0  0  0
  4 12  1  0  0  0  0
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M  END
>  <Mol_ID> (473)
8234

>  <Formula> (473)
C20H19F2N3O3

>  <MolWeight> (473)
387.3799664

>  <Cat> (473)
E0054

>  <Name> (473)
Tegoprazan

>  <Synonyms> (473)
CJ-12420, IN-A001, K-CAB, LXI-15028, RQ-00000004

>  <Target> (473)
ATPase

>  <Form> (473)
Free Base

>  <CAS> (473)
942195-55-3

>  <URL> (473)
http://www.selleckchem.com/products/tegoprazan.html

$$$$

csChFnd80/03012214202D

 33 35  0  0  0  0  0  0  0  0999 V2000
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    6.0669    3.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288    8.8192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4438    3.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140    3.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140    5.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    3.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4891    5.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.4192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    3.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    1.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    1.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2288    7.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2793    3.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6288    7.4192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7601    6.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3562    4.4275    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    3.1813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1228    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    1.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  8  2  0  0  0  0
 19 18  2  0  0  0  0
 32  7  1  0  0  0  0
 28 26  1  0  0  0  0
  3 12  1  0  0  0  0
 22 26  1  0  0  0  0
 10 27  2  0  0  0  0
 11 18  1  0  0  0  0
 20  4  1  0  0  0  0
  9 23  1  0  0  0  0
 24  9  1  0  0  0  0
 25  7  1  0  0  0  0
  2 13  1  0  0  0  0
 31 14  1  0  0  0  0
 12 18  1  0  0  0  0
 17  7  1  0  0  0  0
 31 33  1  6  0  0  0
 15 26  1  0  0  0  0
  8 26  1  0  0  0  0
 11 16  2  0  0  0  0
 31  4  1  0  0  0  0
 19  8  1  0  0  0  0
  3 21  1  0  0  0  0
  7 24  1  0  0  0  0
  5 23  2  0  0  0  0
 16 13  1  0  0  0  0
 21 29  1  0  0  0  0
 14 27  1  0  0  0  0
 20 23  1  0  0  0  0
 30 13  1  0  0  0  0
 29 19  1  0  0  0  0
  1 13  1  0  0  0  0
  6 16  1  0  0  0  0
 20 25  1  0  0  0  0
  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (474)
8246

>  <Formula> (474)
C18H19F8N5O2

>  <MolWeight> (474)
489.3629856

>  <Cat> (474)
E0122

>  <Name> (474)
Gemigliptin

>  <Synonyms> (474)
Zemiglo, LC15-0444

>  <Target> (474)
DPP-4

>  <Form> (474)
Free Base

>  <CAS> (474)
911637-19-9

>  <URL> (474)
http://www.selleckchem.com/products/gemigliptin.html

$$$$
