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220127-57-1

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untitled.cdx
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MEK 

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391210-10-9

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   12.0907    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6512    1.7304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4137    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5327    3.9925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2256    3.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5327    5.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244    6.0901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5221    8.3887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1181    5.3892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9080    6.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7409    6.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1512    0.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
  2  8  1  1  0  0  0
  8  9  1  0  0  0  0
  4 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  6  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 17 24  1  0  0  0  0
 25 24  1  1  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
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 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 35  1  0  0  0  0
 35 42  1  1  0  0  0
 37 43  1  1  0  0  0
 40 44  1  6  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
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 50 51  1  0  0  0  0
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 57 58  1  0  0  0  0
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 64 65  1  0  0  0  0
M  END
>  <Mol_ID> (4)
27

>  <Formula> (4)
C51H79NO13

>  <MolWeight> (4)
914.17186

>  <Cat> (4)
S1039

>  <Name> (4)
Rapamycin (Sirolimus)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
mTOR 

>  <Form> (4)
Free Base

>  <CAS> (4)
53123-88-9

>  <URL> (4)
http://www.selleckchem.com/products/Rapamycin.html

$$$$
vorinostat.cdx
csChFnd80/05132010362D

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    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (5)
31

>  <Formula> (5)
C14H20N2O3

>  <MolWeight> (5)
264.3202

>  <Cat> (5)
S1047

>  <Name> (5)
Vorinostat (SAHA, MK0683)

>  <Synonyms> (5)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (5)
HDAC

>  <Form> (5)
Free Base

>  <CAS> (5)
149647-78-9

>  <URL> (5)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/05132010362D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.0971    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.4971    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
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  1  6  1  0  0  0  0
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  1  7  1  1  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
  4 16  1  0  0  0  0
M  END
>  <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

$$$$
untitled.cdx
csChFnd80/05132010362D

 39 45  0  0  0  0  0  0  0  0999 V2000
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    5.0700    7.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8929    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8326   11.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 18 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 30 33  1  0  0  0  0
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 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (7)
36

>  <Formula> (7)
C32H29N5O2

>  <MolWeight> (7)
515.60496

>  <Cat> (7)
S1055

>  <Name> (7)
Enzastaurin (LY317615)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
PKC 

>  <Form> (7)
Free Base

>  <CAS> (7)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/05132010362D

 35 40  0  0  0  0  0  0  0  0999 V2000
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p38 MAPK 

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Free Base

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152121-47-6

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http://www.selleckchem.com/products/SB-203580.html

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SB202190 (FHPI)

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N/A

>  <Target> (13)
p38 MAPK 

>  <Form> (13)
Free Base

>  <CAS> (13)
152121-30-7

>  <URL> (13)
http://www.selleckchem.com/products/SB-202190.html

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C19H14Cl2N2O3S

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Vismodegib (GDC-0449)

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N/A 

>  <Target> (14)
Hedgehog, P-gp

>  <Form> (14)
Free Base

>  <CAS> (14)
879085-55-9

>  <URL> (14)
http://www.selleckchem.com/products/GDC-0449.html

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>  <Mol_ID> (15)
66

>  <Formula> (15)
C19H17NO3

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>  <Cat> (15)
S1105

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LY294002

>  <Synonyms> (15)
N/A

>  <Target> (15)
PI3K 

>  <Form> (15)
Free Base

>  <CAS> (15)
154447-36-6

>  <URL> (15)
http://www.selleckchem.com/products/LY294002.html

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81

>  <Formula> (16)
C19H23N7O2

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AT9283

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N/A

>  <Target> (16)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (16)
Free Base

>  <CAS> (16)
896466-04-9

>  <URL> (16)
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>  <Mol_ID> (17)
84

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C31H43N3O8

>  <MolWeight> (17)
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>  <Cat> (17)
S1141

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17-AAG (Tanespimycin)

>  <Synonyms> (17)
N/A 

>  <Target> (17)
HSP

>  <Form> (17)
Free Base

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

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

$$$$
S31-201.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (18)
95

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C16H15NO7S

>  <MolWeight> (18)
365.3578

>  <Cat> (18)
S1155

>  <Name> (18)
NSC 74859 (S3I-201)

>  <Synonyms> (18)
N/A 

>  <Target> (18)
STAT

>  <Form> (18)
Free Base

>  <CAS> (18)
501919-59-1

>  <URL> (18)
http://www.selleckchem.com/products/S31-201.html

$$$$
TGX-221.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (19)
99

>  <Formula> (19)
C21H24N4O2

>  <MolWeight> (19)
364.44086

>  <Cat> (19)
S1169

>  <Name> (19)
TGX-221

>  <Synonyms> (19)
N/A

>  <Target> (19)
PI3K

>  <Form> (19)
Free Base

>  <CAS> (19)
663619-89-4

>  <URL> (19)
http://www.selleckchem.com/products/TGX-221.html

$$$$

csChFnd80/05132010362D

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>  <Mol_ID> (20)
106

>  <Formula> (20)
C16H13NO3

>  <MolWeight> (20)
267.27932

>  <Cat> (20)
S1177

>  <Name> (20)
PD98059

>  <Synonyms> (20)
N/A

>  <Target> (20)
MEK

>  <Form> (20)
Free Base

>  <CAS> (20)
167869-21-8

>  <URL> (20)
http://www.selleckchem.com/products/PD-98059.html

$$$$
XAV-939.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (21)
109

>  <Formula> (21)
C14H11F3N2OS

>  <MolWeight> (21)
312.3101496

>  <Cat> (21)
S1180

>  <Name> (21)
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>  <Synonyms> (21)
N/A 

>  <Target> (21)
Wnt/beta-catenin

>  <Form> (21)
Free Base

>  <CAS> (21)
284028-89-3

>  <URL> (21)
http://www.selleckchem.com/products/XAV-939.html

$$$$
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csChFnd80/05132010362D

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>  <Mol_ID> (22)
136

>  <Formula> (22)
C25H31N5O4

>  <MolWeight> (22)
465.54474

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S1226

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Ku-0063794

>  <Synonyms> (22)
N/A

>  <Target> (22)
mTOR 

>  <Form> (22)
Free Base

>  <CAS> (22)
938440-64-3

>  <URL> (22)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/05132010362D

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>  <Mol_ID> (23)
137

>  <Formula> (23)
C28H28ClNO4S

>  <MolWeight> (23)
510.04422

>  <Cat> (23)
S1227

>  <Name> (23)
Evista (Raloxifene Hydrochloride)

>  <Synonyms> (23)
Raloxifene Hydrochloride, keoxifene

>  <Target> (23)
Estrogen/progestogen Receptor

>  <Form> (23)
Hydrochloride

>  <CAS> (23)
82640-04-8

>  <URL> (23)
http://www.selleckchem.com/products/Evista.html

$$$$
BMS-708163.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (24)
156

>  <Formula> (24)
C20H17ClF4N4O4S

>  <MolWeight> (24)
520.8849928

>  <Cat> (24)
S1262

>  <Name> (24)
BMS-708163 (Avagacestat)

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Gamma-secretase

>  <Form> (24)
Free Base

>  <CAS> (24)
1146699-66-2

>  <URL> (24)
http://www.selleckchem.com/products/BMS-708163.html

$$$$
PD173074.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (25)
157

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C28H41N7O3

>  <MolWeight> (25)
523.67024

>  <Cat> (25)
S1264

>  <Name> (25)
PD173074

>  <Synonyms> (25)
N/A

>  <Target> (25)
FGFR, VEGFR

>  <Form> (25)
Free Base

>  <CAS> (25)
219580-11-7

>  <URL> (25)
http://www.selleckchem.com/products/PD-173074.html

$$$$
Nicotinamide.cdx
csChFnd80/05132010362D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (26)
188

>  <Formula> (26)
C6H6N2O

>  <MolWeight> (26)
122.12464

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S1899

>  <Name> (26)
Nicotinamide (Vitamin B3)

>  <Synonyms> (26)
Niacinamide

>  <Target> (26)
Sirtuin

>  <Form> (26)
Free Base

>  <CAS> (26)
98-92-0

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

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (27)
221

>  <Formula> (27)
C17H19ClF3NO

>  <MolWeight> (27)
345.7870696

>  <Cat> (27)
S1333

>  <Name> (27)
Fluoxetine  HCl

>  <Synonyms> (27)
Prozac, Sarafem

>  <Target> (27)
5-HT Receptor

>  <Form> (27)
Hydrochloride

>  <CAS> (27)
56296-78-7

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

$$$$
Gatifloxacin.cdx
csChFnd80/05132010362D

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 10  5  1  0  0  0  0
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 12  2  1  0  0  0  0
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M  END
>  <Mol_ID> (28)
223

>  <Formula> (28)
C19H22FN3O4

>  <MolWeight> (28)
375.3940832

>  <Cat> (28)
S1340

>  <Name> (28)
Gatifloxacin

>  <Synonyms> (28)
AM-1155, CG5501, BMS-206584

>  <Target> (28)
Topoisomerase

>  <Form> (28)
Free Base

>  <CAS> (28)
112811-59-3

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

$$$$
TG100-115.cdx
csChFnd80/05132010362D

 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> (29)
227

>  <Formula> (29)
C18H14N6O2

>  <MolWeight> (29)
346.34276

>  <Cat> (29)
S1352

>  <Name> (29)
TG100-115

>  <Synonyms> (29)
N/A

>  <Target> (29)
PI3K

>  <Form> (29)
Free Base

>  <CAS> (29)
677297-51-7

>  <URL> (29)
http://www.selleckchem.com/products/TG100-115.html

$$$$
resveratrol.cdx
csChFnd80/05132010362D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
251

>  <Formula> (30)
C14H12O3

>  <MolWeight> (30)
228.24328

>  <Cat> (30)
S1396

>  <Name> (30)
Resveratrol

>  <Synonyms> (30)
N/A

>  <Target> (30)
Sirtuin

>  <Form> (30)
Free Base

>  <CAS> (30)
501-36-0

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

$$$$
Rolipram.cdx
csChFnd80/05132010362D

 20 22  0  0  0  0  0  0  0  0999 V2000
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61413-54-5

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ROCK

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Free Base

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1226056-71-8

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

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JNK

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129-56-6

>  <URL> (33)
http://www.selleckchem.com/products/SP600125.html

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Calcitriol .cdx
csChFnd80/05132010362D

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288

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Calcitriol (Rocaltrol)

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Calcijex, Silkis, Rocaltrol, Topitriol, Cholecalciferol 

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Free Base

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32222-06-3

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

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ROCK 

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864082-47-3

>  <URL> (35)
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>  <Mol_ID> (36)
297

>  <Formula> (36)
C21H21N5

>  <MolWeight> (36)
343.42494

>  <Cat> (36)
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SB 525334

>  <Synonyms> (36)
N/A

>  <Target> (36)
TGF-beta/Smad

>  <Form> (36)
Free Base

>  <CAS> (36)
356559-20-1

>  <URL> (36)
http://www.selleckchem.com/products/SB-525334.html

$$$$

csChFnd80/05132010362D

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>  <Mol_ID> (37)
307

>  <Formula> (37)
C14H16ClN3O4S2

>  <MolWeight> (37)
389.87754

>  <Cat> (37)
S1489

>  <Name> (37)
PIK-93

>  <Synonyms> (37)
N/A

>  <Target> (37)
PI3K, VEGFR

>  <Form> (37)
Free Base

>  <CAS> (37)
593960-11-3

>  <URL> (37)
http://www.selleckchem.com/products/PIK-93.html

$$$$
Fludarabine.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (38)
309

>  <Formula> (38)
C10H12FN5O4

>  <MolWeight> (38)
285.2317832

>  <Cat> (38)
S1491

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Fludarabine (Fludara)

>  <Synonyms> (38)
F-ara-A, NSC 118218 

>  <Target> (38)
STAT, DNA/RNA Synthesis

>  <Form> (38)
Free Base

>  <CAS> (38)
21679-14-1

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

$$$$
XL-765.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (39)
318

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C31H29N5O6S

>  <MolWeight> (39)
599.65686

>  <Cat> (39)
S1523

>  <Name> (39)
XL765

>  <Synonyms> (39)
N/A 

>  <Target> (39)
PI3K, mTOR

>  <Form> (39)
Free Base

>  <CAS> (39)
1349796-36-6

>  <URL> (39)
http://www.selleckchem.com/products/XL765(SAR245409).html#

$$$$
AT7867.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (40)
344

>  <Formula> (40)
C20H20ClN3

>  <MolWeight> (40)
337.8459

>  <Cat> (40)
S1558

>  <Name> (40)
AT7867

>  <Synonyms> (40)
N/A

>  <Target> (40)
Akt, S6 kinase

>  <Form> (40)
Free Base

>  <CAS> (40)
857531-00-1

>  <URL> (40)
http://www.selleckchem.com/products/AT7867.html

$$$$
Fasudil HCl.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (41)
352

>  <Formula> (41)
C14H18ClN3O2S

>  <MolWeight> (41)
327.82962

>  <Cat> (41)
S1573

>  <Name> (41)
Fasudil HCl (HA-1077)

>  <Synonyms> (41)
AT-877 

>  <Target> (41)
ROCK

>  <Form> (41)
Hydrochloride

>  <CAS> (41)
105628-07-7

>  <URL> (41)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (42)
353

>  <Formula> (42)
C31H37N5O3

>  <MolWeight> (42)
527.65718

>  <Cat> (42)
S1574

>  <Name> (42)
BIRB 796 (Doramapimod)

>  <Synonyms> (42)
N/A

>  <Target> (42)
p38 MAPK

>  <Form> (42)
Free Base

>  <CAS> (42)
285983-48-4

>  <URL> (42)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Semagacestat.cdx
csChFnd80/05132010362D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (43)
358

>  <Formula> (43)
C19H27N3O4

>  <MolWeight> (43)
361.43538

>  <Cat> (43)
S1594

>  <Name> (43)
Semagacestat (LY450139)

>  <Synonyms> (43)
LY-450139, LY450139

>  <Target> (43)
Gamma-secretase

>  <Form> (43)
Free Base

>  <CAS> (43)
425386-60-3

>  <URL> (43)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/05132010362D

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 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (44)
360

>  <Formula> (44)
C27H30Cl2F2N6O

>  <MolWeight> (44)
563.4695064

>  <Cat> (44)
S2686

>  <Name> (44)
NVP-BSK805 2HCl

>  <Synonyms> (44)
N/A

>  <Target> (44)
JAK

>  <Form> (44)
HCl

>  <CAS> (44)
1092499-93-8 (free base)

>  <URL> (44)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/05132010362D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    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
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    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  2  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
    8.4744    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0496    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6288    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2040    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1582    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8610    5.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 14 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 19 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
 29 19  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  1  0  0  0
 11 34  1  6  0  0  0
M  END
>  <Mol_ID> (45)
368

>  <Formula> (45)
C29H35NO2

>  <MolWeight> (45)
429.5937

>  <Cat> (45)
S2606

>  <Name> (45)
Mifepristone (Mifeprex)

>  <Synonyms> (45)
RU-486, Mifegyne 

>  <Target> (45)
Estrogen/progestogen Receptor

>  <Form> (45)
Free Base

>  <CAS> (45)
84371-65-3

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

$$$$
Artesunate.cdx
csChFnd80/05132010362D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    2.4331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2886    1.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7352    0.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1951    5.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2589    4.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9535    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9586    4.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    2.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    2.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027    2.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    4.9261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
  9 18  1  0  0  0  0
  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (46)
391

>  <Formula> (46)
C19H28O8

>  <MolWeight> (46)
384.42082

>  <Cat> (46)
S2265

>  <Name> (46)
Artesunate

>  <Synonyms> (46)
N/A

>  <Target> (46)
STAT

>  <Form> (46)
Free Base

>  <CAS> (46)
88495-63-0

>  <URL> (46)
http://www.selleckchem.com/products/Artesunate.html

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/05132010362D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  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 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 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (47)
396

>  <Formula> (47)
C20H28O2

>  <MolWeight> (47)
300.43512

>  <Cat> (47)
S1653

>  <Name> (47)
All-trans Retinoic Acid (Tretinoin)

>  <Synonyms> (47)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (47)
Retinoid Receptor

>  <Form> (47)
Free Base

>  <CAS> (47)
302-79-4

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

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/05132010362D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9686    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9021    2.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    6.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9686    6.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054    5.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2748    6.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7074    7.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7706    8.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4012    8.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6704    7.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0720    7.6982    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 17 24  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (48)
434

>  <Formula> (48)
C19H16ClNO4

>  <MolWeight> (48)
357.78764

>  <Cat> (48)
S1723

>  <Name> (48)
Indomethacin (Indocid, Indocin)

>  <Synonyms> (48)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (48)
COX

>  <Form> (48)
Free Base

>  <CAS> (48)
53-86-1

>  <URL> (48)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/05132010362D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (49)
459

>  <Formula> (49)
C8H12N4O5

>  <MolWeight> (49)
244.20468

>  <Cat> (49)
S1782

>  <Name> (49)
Azacitidine (Vidaza)

>  <Synonyms> (49)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (49)
DNA/RNA Synthesis

>  <Form> (49)
Free Base

>  <CAS> (49)
320-67-2

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

$$$$
clemastine fumarate.cdx
csChFnd80/05132010362D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0386    2.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3547    6.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    8.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    5.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 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  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (50)
479

>  <Formula> (50)
C25H30ClNO5

>  <MolWeight> (50)
459.9624

>  <Cat> (50)
S1847

>  <Name> (50)
Clemastine Fumarate

>  <Synonyms> (50)
Tavist, Agasten 

>  <Target> (50)
Histamine Receptor

>  <Form> (50)
Fumarate

>  <CAS> (50)
14976-57-9

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

$$$$
Methylthiouracil.cdx
csChFnd80/05132010362D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (51)
481

>  <Formula> (51)
C5H6N2OS

>  <MolWeight> (51)
142.17894

>  <Cat> (51)
S3138

>  <Name> (51)
Methylthiouracil

>  <Synonyms> (51)
N/A

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <CAS> (51)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/05132010362D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    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
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (52)
486

>  <Formula> (52)
C4H12ClN5

>  <MolWeight> (52)
165.62458

>  <Cat> (52)
S1950

>  <Name> (52)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (52)
Glucophage, Riomet, Diabex

>  <Target> (52)
Others

>  <Form> (52)
Hydrochloride

>  <CAS> (52)
1115-70-4

>  <URL> (52)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Miconazole nitrate.cdx
csChFnd80/05132010362D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5248    1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373    2.3188    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7373    3.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9455    1.6212    0.0000 O   0  5  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  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 12 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 12  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (53)
488

>  <Formula> (53)
C18H15Cl4N3O4

>  <MolWeight> (53)
479.1414

>  <Cat> (53)
S1956

>  <Name> (53)
Miconazole nitrate

>  <Synonyms> (53)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (53)
Antifection

>  <Form> (53)
Nitrate 

>  <CAS> (53)
22832-87-7

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

$$$$
Tangeretin.cdx
csChFnd80/05132010362D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (54)
507

>  <Formula> (54)
C20H20O7

>  <MolWeight> (54)
372.3686

>  <Cat> (54)
S2363

>  <Name> (54)
Tangeretin (Tangeritin)

>  <Synonyms> (54)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (54)
ROS

>  <Form> (54)
Free Base

>  <CAS> (54)
481-53-8

>  <URL> (54)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

$$$$
Indirubin.cdx
csChFnd80/05132010362D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (58)
555

>  <Formula> (58)
C32H29F3N6O6

>  <MolWeight> (58)
650.6044696

>  <Cat> (58)
S2749

>  <Name> (58)
NVP-BGT226

>  <Synonyms> (58)
N/A 

>  <Target> (58)
PI3K, mTOR

>  <Form> (58)
Maleate

>  <CAS> (58)
1245537-68-1

>  <URL> (58)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/05132010362D

 35 40  0  0  0  0  0  0  0  0999 V2000
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    1.4000   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 23 24  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 23 25  2  0  0  0  0
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 18 23  1  0  0  0  0
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 29 30  1  0  0  0  0
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 29 34  1  0  0  0  0
 20 31  1  0  0  0  0
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
  5 35  1  0  0  0  0
M  END
>  <Mol_ID> (59)
557

>  <Formula> (59)
C25H21N7O3

>  <MolWeight> (59)
467.47934

>  <Cat> (59)
S1219

>  <Name> (59)
YM201636

>  <Synonyms> (59)
N/A

>  <Target> (59)
PI3K 

>  <Form> (59)
Free Base

>  <CAS> (59)
371942-69-7

>  <URL> (59)
http://www.selleckchem.com/products/ym201636.html

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/05132010362D

 32 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    3.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4913    6.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    3.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    4.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6538    5.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2796    5.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7073    2.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0388    1.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3298    0.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6613    0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0879    7.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1479    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3396    6.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5585    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    7.7658    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 10 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
 12 18  1  0  0  0  0
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 21 13  1  0  0  0  0
  2 22  1  0  0  0  0
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  1 24  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (60)
559

>  <Formula> (60)
C25H30ClI2NO3

>  <MolWeight> (60)
681.77254

>  <Cat> (60)
S1979

>  <Name> (60)
Amiodarone HCl

>  <Synonyms> (60)
N/A

>  <Target> (60)
Potassium Channel

>  <Form> (60)
Hydrochloride

>  <CAS> (60)
19774-82-4

>  <URL> (60)
http://www.selleckchem.com/products/amiodarone-hcl.html

$$$$
3-Methyladenine.cdx
csChFnd80/05132010362D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    1.6625    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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (61)
562

>  <Formula> (61)
C6H7N5

>  <MolWeight> (61)
149.15328

>  <Cat> (61)
S2767

>  <Name> (61)
3-Methyladenine (3-MA)

>  <Synonyms> (61)
3-MA

>  <Target> (61)
PI3K

>  <Form> (61)
Free Base

>  <CAS> (61)
5142-23-4

>  <URL> (61)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
RG108.cdx
csChFnd80/05132010362D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.9792    4.6632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (62)
570

>  <Formula> (62)
C19H14N2O4

>  <MolWeight> (62)
334.32546

>  <Cat> (62)
S2821

>  <Name> (62)
RG108

>  <Synonyms> (62)
N/A 

>  <Target> (62)
Transferases

>  <Form> (62)
Free Base

>  <CAS> (62)
48208-26-0

>  <URL> (62)
http://www.selleckchem.com/products/rg108.html

$$$$
CUDC-907.cdx
csChFnd80/05132010362D

 36 40  0  0  0  0  0  0  0  0999 V2000
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JAK

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1257704-57-6

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625

>  <Formula> (71)
C15H10O7

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302.2357

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Quercetin (Sophoretin)

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Meletin, Quercetine

>  <Target> (71)
PI3K, PKC, Src, Sirtuin

>  <Form> (71)
Free Base

>  <CAS> (71)
117-39-5

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

$$$$
LDE225.cdx
csChFnd80/05132010362D

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653

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>  <Synonyms> (72)
N/A 

>  <Target> (72)
Smoothened

>  <Form> (72)
Free Base

>  <CAS> (72)
956697-53-3

>  <URL> (72)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

$$$$
Daphnetin.cdx
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659

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C9H6O4

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178.14154

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S2554

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Daphnetin

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N/A 

>  <Target> (73)
DNA/RNA Synthesis

>  <Form> (73)
Free Base

>  <CAS> (73)
486-35-1

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

$$$$
LY2784544.cdx
csChFnd80/05132010362D

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662

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C23H25ClFN7O

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S2179

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Gandotinib (LY2784544)

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N/A

>  <Target> (74)
JAK 

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Free Base

>  <CAS> (74)
1229236-86-5

>  <URL> (74)
http://www.selleckchem.com/products/LY2784544.html

$$$$
PIK 293.cdx
csChFnd80/05132010362D

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PI3K

>  <Form> (75)
Free Base

>  <CAS> (75)
900185-01-5 

>  <URL> (75)
http://www.selleckchem.com/products/PIK-293.html

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DAPT.cdx
csChFnd80/05132010362D

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684

>  <Formula> (76)
C23H26F2N2O4

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S2215

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DAPT (GSI-IX)

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GSI-IX

>  <Target> (76)
Gamma-secretase, Beta Amyloid

>  <Form> (76)
Free Base

>  <CAS> (76)
208255-80-5

>  <URL> (76)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

$$$$
Cryptotanshinone.cdx
csChFnd80/05132010362D

 22 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (77)
714

>  <Formula> (77)
C19H20O3

>  <MolWeight> (77)
296.3603

>  <Cat> (77)
S2285

>  <Name> (77)
Cryptotanshinone

>  <Synonyms> (77)
N/A

>  <Target> (77)
STAT

>  <Form> (77)
Free Base

>  <CAS> (77)
35825-57-1

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

$$$$
Emodin.cdx
csChFnd80/05132010362D

 20 22  0  0  0  0  0  0  0  0999 V2000
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720

>  <Formula> (78)
C15H10O5

>  <MolWeight> (78)
270.2369

>  <Cat> (78)
S2295

>  <Name> (78)
Emodin

>  <Synonyms> (78)
N/A

>  <Target> (78)
Dehydrogenase

>  <Form> (78)
Free Base

>  <CAS> (78)
518-82-1

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

$$$$
Hesperetin.cdx
csChFnd80/05132010362D

 22 24  0  0  0  0  0  0  0  0999 V2000
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731

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C16H14O6

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302.27876

>  <Cat> (79)
S2308

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Hesperetin

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N/A

>  <Target> (79)
Histamine Receptor

>  <Form> (79)
Free Base

>  <CAS> (79)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/05132010362D

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733

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C18H18O2

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S2310

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Honokiol

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N/A

>  <Target> (80)
Akt, MEK

>  <Form> (80)
Free Base

>  <CAS> (80)
35354-74-6

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

$$$$
Myricitrin.cdx
csChFnd80/05132010362D

 33 36  0  0  0  0  0  0  0  0999 V2000
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746

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PKC

>  <Form> (81)
Free Base

>  <CAS> (81)
17912-87-7

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

$$$$
Curcumol.cdx
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772

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C15H24O2

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236.34986

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S2407

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Curcumol

>  <Synonyms> (82)
N/A

>  <Target> (82)
JAK

>  <Form> (82)
Free Base

>  <CAS> (82)
4871-97-0

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

$$$$
LY 411575.cdx
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C26H23F2N3O4

>  <MolWeight> (83)
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S2714

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LY411575

>  <Synonyms> (83)
N/A 

>  <Target> (83)
Gamma-secretase

>  <Form> (83)
Free Base

>  <CAS> (83)
209984-57-6

>  <URL> (83)
http://www.selleckchem.com/products/ly-411575.html

$$$$
TG1012009.cdx
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797

>  <Formula> (84)
C26H35N7O2S

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>  <Synonyms> (84)
N/A

>  <Target> (84)
Flt, JAK, c-RET

>  <Form> (84)
Free Base

>  <CAS> (84)
936091-14-4

>  <URL> (84)
http://www.selleckchem.com/products/tg101209.html

$$$$
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1086062-66-9 

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843

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C22H18FN7O

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CAL-101 (GS-1101)

>  <Synonyms> (86)
CAL101

>  <Target> (86)
PI3K 

>  <Form> (86)
Free Base

>  <CAS> (86)
870281-82-6

>  <URL> (86)
http://www.selleckchem.com/products/CAL-101.html

$$$$
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900185-02-6

>  <URL> (87)
http://www.selleckchem.com/products/PIK-294.html

$$$$
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122320-73-4

>  <URL> (88)
http://www.selleckchem.com/products/Rosiglitazone-Avandia.html

$$$$
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M  END
>  <Mol_ID> (98)
902

>  <Formula> (98)
C18H14N4O2

>  <MolWeight> (98)
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>  <Cat> (98)
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>  <Name> (98)
TWS119

>  <Synonyms> (98)
N/A

>  <Target> (98)
GSK-3

>  <Form> (98)
Free Base

>  <CAS> (98)
601514-19-6

>  <URL> (98)
http://www.selleckchem.com/products/TWS119.html

$$$$
ICG001.cdx
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>  <Mol_ID> (99)
915

>  <Formula> (99)
C33H32N4O4

>  <MolWeight> (99)
548.63158

>  <Cat> (99)
S2662

>  <Name> (99)
ICG-001

>  <Synonyms> (99)
N/A

>  <Target> (99)
Wnt/beta-catenin

>  <Form> (99)
Free Base

>  <CAS> (99)
780757-88-2

>  <URL> (99)
http://www.selleckchem.com/products/icg-001.html

$$$$
Geldanamycin.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (100)
923

>  <Formula> (100)
C29H40N2O9

>  <MolWeight> (100)
560.6359

>  <Cat> (100)
S2713

>  <Name> (100)
Geldanamycin

>  <Synonyms> (100)
N/A

>  <Target> (100)
HSP

>  <Form> (100)
Free Base

>  <CAS> (100)
30562-34-6

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

$$$$
YO 01027.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (101)
929

>  <Formula> (101)
C26H23F2N3O3

>  <MolWeight> (101)
463.4759264

>  <Cat> (101)
S2711

>  <Name> (101)
YO-01027 (Dibenzazepine)

>  <Synonyms> (101)
N/A

>  <Target> (101)
Gamma-secretase

>  <Form> (101)
Free Base

>  <CAS> (101)
209984-56-5

>  <URL> (101)
http://www.selleckchem.com/products/yo-01027.html

$$$$
TG101348.cdx
csChFnd80/05132010362D

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936091-26-8

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N/A

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PI3K, mTOR

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Free Base

>  <CAS> (103)
1007207-67-1

>  <URL> (103)
http://www.selleckchem.com/products/ch5132799.html

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1032754-93-0

>  <URL> (104)
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264218-23-7

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M  END
>  <Mol_ID> (111)
1069

>  <Formula> (111)
C19H14N2O2S

>  <MolWeight> (111)
334.39166

>  <Cat> (111)
S2823

>  <Name> (111)
Tideglusib

>  <Synonyms> (111)
N/A 

>  <Target> (111)
GSK-3

>  <Form> (111)
Free Base

>  <CAS> (111)
865854-05-3 

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

$$$$
Ascorbic acid.cdx
csChFnd80/05132010362D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
1071

>  <Formula> (112)
C6H8O6

>  <MolWeight> (112)
176.12412

>  <Cat> (112)
S3114

>  <Name> (112)
Vitamin C (Ascorbic acid)

>  <Synonyms> (112)
N/A 

>  <Target> (112)
Vitamin

>  <Form> (112)
Free Base

>  <CAS> (112)
50-81-7

>  <URL> (112)
http://www.selleckchem.com/products/vitamin-c-ascorbic-acid.html

$$$$
StemRegenin 1.cdx
csChFnd80/05132010362D

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  4  7  1  0  0  0  0
  1 31  1  0  0  0  0
M  END
>  <Mol_ID> (113)
1083

>  <Formula> (113)
C24H23N5OS

>  <MolWeight> (113)
429.53732

>  <Cat> (113)
S2858

>  <Name> (113)
StemRegenin 1

>  <Synonyms> (113)
N/A 

>  <Target> (113)
AhR

>  <Form> (113)
Free Base

>  <CAS> (113)
1227633-49-9

>  <URL> (113)
http://www.selleckchem.com/products/stemRegenin-1.html

$$$$
WHI-P154.cdx
csChFnd80/05132010362D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (114)
1091

>  <Formula> (114)
C16H14BrN3O3

>  <MolWeight> (114)
376.20466

>  <Cat> (114)
S2867

>  <Name> (114)
WHI-P154

>  <Synonyms> (114)
N/A

>  <Target> (114)
JAK, EGFR

>  <Form> (114)
Free Base

>  <CAS> (114)
211555-04-3

>  <URL> (114)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Forskolin.cdx
csChFnd80/05132010362D

 30 32  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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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (115)
1095

>  <Formula> (115)
C22H34O7

>  <MolWeight> (115)
410.50116

>  <Cat> (115)
S2449

>  <Name> (115)
Forskolin

>  <Synonyms> (115)
Coleonol

>  <Target> (115)
cAMP

>  <Form> (115)
Free Base

>  <CAS> (115)
66575-29-9

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

$$$$
Pirfenidone.cdx
csChFnd80/05132010362D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.1980    2.4190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (116)
1127

>  <Formula> (116)
C12H11NO

>  <MolWeight> (116)
185.22184

>  <Cat> (116)
S2907

>  <Name> (116)
Pirfenidone

>  <Synonyms> (116)
N/A

>  <Target> (116)
TGF-beta/Smad

>  <Form> (116)
Free Base

>  <CAS> (116)
53179-13-8

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

$$$$
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501437-28-1

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PKC

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133053-19-7

>  <URL> (118)
http://www.selleckchem.com/products/go-6983.html

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Free Base

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327036-89-5 

>  <URL> (119)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
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H 89 2HCl

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S6 Kinase

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Dihydrochloride

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130964-39-5

>  <URL> (120)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

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M  END
>  <Mol_ID> (121)
1212

>  <Formula> (121)
C24H28O2

>  <MolWeight> (121)
348.47792

>  <Cat> (121)
S2098

>  <Name> (121)
Bexarotene

>  <Synonyms> (121)
N/A

>  <Target> (121)
Retinoid Receptor

>  <Form> (121)
Free Base

>  <CAS> (121)
153559-49-0

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

$$$$
Pifithrin-¦Á.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (122)
1246

>  <Formula> (122)
C16H19BrN2OS

>  <MolWeight> (122)
367.30386

>  <Cat> (122)
S2929

>  <Name> (122)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (122)
N/A

>  <Target> (122)
p53

>  <Form> (122)
HBr

>  <CAS> (122)
63208-82-2

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

$$$$
aicar.cdx
csChFnd80/05132010362D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   10.0165    5.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  7  1  1  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
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M  END
>  <Mol_ID> (123)
1257

>  <Formula> (123)
C9H14N4O5

>  <MolWeight> (123)
258.23126

>  <Cat> (123)
S1802

>  <Name> (123)
AICAR (Acadesine)

>  <Synonyms> (123)
AICAR, AICA-riboside

>  <Target> (123)
AMPK

>  <Form> (123)
Free Base

>  <CAS> (123)
2627-69-2

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

$$$$
nifuroxazide.cdx
csChFnd80/05132010362D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
1369

>  <Formula> (124)
C12H9N3O5

>  <MolWeight> (124)
275.21696

>  <Cat> (124)
S4182

>  <Name> (124)
Nifuroxazide

>  <Synonyms> (124)
N/A

>  <Target> (124)
STAT

>  <Form> (124)
Free Base

>  <CAS> (124)
965-52-6

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

$$$$
Halcinonide.cdx
csChFnd80/05132010362D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 10 24  1  6  0  0  0
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M  END
>  <Mol_ID> (125)
1409

>  <Formula> (125)
C24H32ClFO5

>  <MolWeight> (125)
454.9592832

>  <Cat> (125)
S4098

>  <Name> (125)
Halcinonide

>  <Synonyms> (125)
N/A

>  <Target> (125)
Immunology & Inflammation related

>  <Form> (125)
Free Base

>  <CAS> (125)
3093-35-4

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

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/05132010362D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (126)
1466

>  <Formula> (126)
C8H7NO2S

>  <MolWeight> (126)
181.21168

>  <Cat> (126)
S2930

>  <Name> (126)
Pifithrin-¦Ì

>  <Synonyms> (126)
NSC 303580, PFT¦Ì

>  <Target> (126)
p53

>  <Form> (126)
Free Base

>  <CAS> (126)
64984-31-2

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

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/05132010362D

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Flurbiprofen

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Urbifen, Ansaid, Flurwood, Froben

>  <Target> (127)
COX

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Free Base

>  <CAS> (127)
51543-39-6

>  <URL> (127)
http://www.selleckchem.com/products/Flurbiprofen(Ansaid).html

$$$$
TTNPB.cdx
csChFnd80/05132010362D

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TTNPB

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Ro 13-7410

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Retinoid Receptor

>  <Form> (128)
Free Base

>  <CAS> (128)
71441-28-6

>  <URL> (128)
http://www.selleckchem.com/products/ttnpb-arotinoid-acid.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/05132010362D

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>  <Mol_ID> (129)
1535

>  <Formula> (129)
C44H69NO12

>  <MolWeight> (129)
804.01816

>  <Cat> (129)
S5003

>  <Name> (129)
Tacrolimus (FK506)

>  <Synonyms> (129)
FR900506

>  <Target> (129)
mTOR

>  <Form> (129)
Free Base

>  <CAS> (129)
104987-11-3

>  <URL> (129)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/05132010362D

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1690

>  <Formula> (130)
C14H23ClN2O

>  <MolWeight> (130)
270.79822

>  <Cat> (130)
S4667

>  <Name> (130)
Lidocaine hydrochloride

>  <Synonyms> (130)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (130)
Others

>  <Form> (130)
hydrochloride

>  <CAS> (130)
73-78-9

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

$$$$
S4747 Jervine.cdx
csChFnd80/05132010362D

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 11 12  1  0  0  0  0
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 17 22  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
>  <Mol_ID> (131)
1727

>  <Formula> (131)
C27H39NO3

>  <MolWeight> (131)
425.60346

>  <Cat> (131)
S4747

>  <Name> (131)
Jervine

>  <Synonyms> (131)
11-Ketocyclopamine

>  <Target> (131)
Hedgehog/Smoothened

>  <Form> (131)
Free Base

>  <CAS> (131)
469-59-0

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

$$$$
S4743 Wogonin.cdx
csChFnd80/05132010362D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6326    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8438    4.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4290    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0572    4.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    6.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4290    0.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6957    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
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  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (132)
1734

>  <Formula> (132)
C16H12O5

>  <MolWeight> (132)
284.26348

>  <Cat> (132)
S4743

>  <Name> (132)
Wogonin

>  <Synonyms> (132)
Vogonin

>  <Target> (132)
CDK

>  <Form> (132)
Free Base

>  <CAS> (132)
632-85-9

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

$$$$
S3616 Asiaticoside.cdx
csChFnd80/05132010362D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   16.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2257   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.9462    9.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5439    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 16  9  1  1  0  0  0
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M  END
>  <Mol_ID> (133)
1764

>  <Formula> (133)
C48H78O19

>  <MolWeight> (133)
959.12152

>  <Cat> (133)
S3616

>  <Name> (133)
Asiaticoside

>  <Synonyms> (133)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (133)
Others

>  <Form> (133)
free base

>  <CAS> (133)
16830-15-2

>  <URL> (133)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/05132010362D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
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  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (134)
1773

>  <Formula> (134)
C9H10O4

>  <MolWeight> (134)
182.1733

>  <Cat> (134)
S3630

>  <Name> (134)
Methyl Vanillate

>  <Synonyms> (134)
N/A

>  <Target> (134)
Wnt/¦Â-Catenin

>  <Form> (134)
free base

>  <CAS> (134)
3943-74-6

>  <URL> (134)
http://www.selleckchem.com/products/methyl-vanillate.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/05132010362D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (135)
1789

>  <Formula> (135)
C11H8O3

>  <MolWeight> (135)
188.17942

>  <Cat> (135)
S3661

>  <Name> (135)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (135)
N/A

>  <Target> (135)
PKC

>  <Form> (135)
free base

>  <CAS> (135)
2348-82-5

>  <URL> (135)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/05132010362D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (136)
1894

>  <Formula> (136)
C19H20O5

>  <MolWeight> (136)
328.3591

>  <Cat> (136)
S3819

>  <Name> (136)
Decursinol angelate

>  <Synonyms> (136)
N/A

>  <Target> (136)
PKC

>  <Form> (136)
free base

>  <CAS> (136)
130848-06-5

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

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/05132010362D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   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
    6.0622    5.6000    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
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 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
 18 22  1  0  0  0  0
 23 14  1  6  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
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 26 31  1  1  0  0  0
 25 32  1  6  0  0  0
 24 33  1  1  0  0  0
M  END
>  <Mol_ID> (137)
1911

>  <Formula> (137)
C21H20O12

>  <MolWeight> (137)
464.3763

>  <Cat> (137)
S3842

>  <Name> (137)
Isoquercitrin

>  <Synonyms> (137)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (137)
Wnt/¦Â-catenin

>  <Form> (137)
free base

>  <CAS> (137)
482-35-9

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

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/05132010362D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6000    4.8497    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 H   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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 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  8  1  0  0  0  0
 12 15  2  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  6  0  0  0
  7 20  1  6  0  0  0
 21  9  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
 21 25  1  6  0  0  0
 25 20  1  6  0  0  0
M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (138)
1924

>  <Formula> (138)
C19H24ClNO4

>  <MolWeight> (138)
365.85116

>  <Cat> (138)
S3758

>  <Name> (138)
Sinomenine hydrochloride

>  <Synonyms> (138)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (138)
Immunology & Inflammation

>  <Form> (138)
hydrochloride

>  <CAS> (138)
6080-33-7

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

$$$$
S3783 Echinacoside.cdx
csChFnd80/05132010362D

 55 59  0  0  0  0  0  0  0  0999 V2000
    9.7655    7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4955    6.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4383    8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.8638    6.1068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7941    4.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7397    9.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    8.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5767    7.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5623    4.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4391   10.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3857   13.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1686    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0781    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7774    0.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0101    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   14.5702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6199   13.3015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (139)
1929

>  <Formula> (139)
C35H46O20

>  <MolWeight> (139)
786.72774

>  <Cat> (139)
S3783

>  <Name> (139)
Echinacoside

>  <Synonyms> (139)
N/A

>  <Target> (139)
Others

>  <Form> (139)
free base

>  <CAS> (139)
82854-37-3

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

$$$$
S3787 Picroside I.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (140)
1932

>  <Formula> (140)
C24H28O11

>  <MolWeight> (140)
492.47252

>  <Cat> (140)
S3787

>  <Name> (140)
Picroside I

>  <Synonyms> (140)
6'-Cinnamoylcatalpol

>  <Target> (140)
Antifection

>  <Form> (140)
free base

>  <CAS> (140)
27409-30-9

>  <URL> (140)
http://www.selleckchem.com/products/picroside-i.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (141)
1982

>  <Formula> (141)
C41H68O14

>  <MolWeight> (141)
784.97022

>  <Cat> (141)
S3901

>  <Name> (141)
Astragaloside IV

>  <Synonyms> (141)
AST-IV, AS-IV

>  <Target> (141)
Others

>  <Form> (141)
free base

>  <CAS> (141)
84687-43-4

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

$$$$
LY2109761.cdx
csChFnd80/05132010362D

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700874-71-1 

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http://www.selleckchem.com/products/ly2109761.html

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CXCR

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Octahydrochloride 

>  <CAS> (143)
155148-31-5

>  <URL> (143)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

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>  <CAS> (144)
396129-53-6

>  <URL> (144)
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925705-73-3

>  <URL> (145)
http://www.selleckchem.com/products/tg-100713.html

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>  <Mol_ID> (146)
2018

>  <Formula> (146)
C18H17ClN2O3S

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376.85718

>  <Cat> (146)
S7096

>  <Name> (146)
KY02111

>  <Synonyms> (146)
N/A

>  <Target> (146)
Wnt/beta-catenin

>  <Form> (146)
Free Base

>  <CAS> (146)
1118807-13-8

>  <URL> (146)
https://www.selleckchem.com/products/ky02111.html

$$$$
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C28H41N7O4

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S7353

>  <Name> (147)
EPZ004777

>  <Synonyms> (147)
N/A

>  <Target> (147)
Histone Methyltransferase

>  <Form> (147)
Free Base

>  <CAS> (147)
1338466-77-5

>  <URL> (147)
https://www.selleckchem.com/products/epz004777.html

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2031

>  <Formula> (148)
C16H19N5

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PP1

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N/A

>  <Target> (148)
Src

>  <Form> (148)
Free Base

>  <CAS> (148)
172889-26-8

>  <URL> (148)
http://www.selleckchem.com/products/pp1.html

$$$$
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N/A

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>  <Form> (149)
Free Base

>  <CAS> (149)
304909-07-7

>  <URL> (149)
http://www.selleckchem.com/products/sant-1.html

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csChFnd80/05132010362D

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1342278-01-6

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http://www.selleckchem.com/products/rki-1447.html

$$$$
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M  END
>  <Mol_ID> (151)
2071

>  <Formula> (151)
C13H12N2O

>  <MolWeight> (151)
212.24718

>  <Cat> (151)
S3868

>  <Name> (151)
Harmine

>  <Synonyms> (151)
telepathine

>  <Target> (151)
PPAR¦Ã,MAO-A

>  <Form> (151)
free base

>  <CAS> (151)
442-51-3

>  <URL> (151)
http://www.selleckchem.com/products/harmine.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (152)
2130

>  <Formula> (152)
C15H12O2

>  <MolWeight> (152)
224.25458

>  <Cat> (152)
S4763

>  <Name> (152)
4-Hydroxychalcone

>  <Synonyms> (152)
P-Cinnamoylphenol

>  <Target> (152)
Others

>  <Form> (152)
free base

>  <CAS> (152)
20426-12-4

>  <URL> (152)
http://www.selleckchem.com/products/4-hydroxychalcone.html

$$$$
S4990 TBHQ.cdx
csChFnd80/05132010362D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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M  END
>  <Mol_ID> (153)
2183

>  <Formula> (153)
C10H14O2

>  <MolWeight> (153)
166.21696

>  <Cat> (153)
S4990

>  <Name> (153)
TBHQ

>  <Synonyms> (153)
Tert-butylhydroquinone

>  <Target> (153)
Nrf2

>  <Form> (153)
free base

>  <CAS> (153)
1948-33-0

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

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/05132010362D

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    3.6369    4.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2120    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    6.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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 13 15  1  0  0  0  0
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  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (154)
2233

>  <Formula> (154)
C10H13N5O

>  <MolWeight> (154)
219.24312

>  <Cat> (154)
S4884

>  <Name> (154)
Trans-Zeatin

>  <Synonyms> (154)
(E)-Zeatin

>  <Target> (154)
Others

>  <CAS> (154)
1637-39-4

>  <URL> (154)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/05132010362D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    8.5114    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4818    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6323    1.3997    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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M  END
>  <Mol_ID> (155)
2265

>  <Formula> (155)
C15H12O2

>  <MolWeight> (155)
224.25458

>  <Cat> (155)
S4937

>  <Name> (155)
4'-Hydroxychalcone

>  <Synonyms> (155)
P-Cinnamoylphenol

>  <Target> (155)
Others

>  <Form> (155)
free base

>  <CAS> (155)
2657-25-2

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

$$$$
Sodium valproate.cdx
csChFnd80/05132010362D

 11 10  0  0  0  0  0  0  0  0999 V2000
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (156)
2270

>  <Formula> (156)
C8H15NaO2

>  <MolWeight> (156)
166.19327

>  <Cat> (156)
S1168

>  <Name> (156)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (156)
N/A 

>  <Target> (156)
GABA Receptor, HDAC

>  <CAS> (156)
1069-66-5, 99-66-1 (FREE BASE)

>  <URL> (156)
http://www.selleckchem.com/products/Sodium-valproate.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (157)
2273

>  <Formula> (157)
C47H80O18

>  <MolWeight> (157)
933.1273

>  <Cat> (157)
S3785

>  <Name> (157)
Notoginsenoside R1

>  <Synonyms> (157)
Sanchinoside R1

>  <Target> (157)
Others

>  <Form> (157)
free base

>  <CAS> (157)
80418-24-2

>  <URL> (157)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
Isotretinoin.cdx
csChFnd80/05132010362D

 22 22  0  0  0  0  0  0  0  0999 V2000
   12.1461    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
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 11 15  2  0  0  0  0
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M  END
>  <Mol_ID> (158)
2283

>  <Formula> (158)
C20H28O2

>  <MolWeight> (158)
300.43512

>  <Cat> (158)
S1379

>  <Name> (158)
Isotretinoin 

>  <Synonyms> (158)
13-cis retinoic acid

>  <Target> (158)
hydroxylase

>  <Form> (158)
free base

>  <CAS> (158)
4759-48-2

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/05132010362D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9329    4.1605    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
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 25 30  1  1  0  0  0
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 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (159)
2291

>  <Formula> (159)
C21H18O12

>  <MolWeight> (159)
462.36042

>  <Cat> (159)
S3810

>  <Name> (159)
Scutellarin

>  <Synonyms> (159)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (159)
Others

>  <Form> (159)
free base

>  <CAS> (159)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/05132010362D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   20.7990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 12  1  0  0  0  0
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  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (160)
2299

>  <Formula> (160)
C21H46NO4P

>  <MolWeight> (160)
407.568001

>  <Cat> (160)
S3056

>  <Name> (160)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (160)
N/A

>  <Target> (160)
Akt

>  <Form> (160)
Free Base

>  <CAS> (160)
58066-85-6

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

$$$$
NU7026.cdx
csChFnd80/05132010362D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.8637    4.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (165)
2351

>  <Formula> (165)
C26H21N3O3

>  <MolWeight> (165)
423.46324

>  <Cat> (165)
S7086

>  <Name> (165)
IWR-1-endo

>  <Synonyms> (165)
IWR-1

>  <Target> (165)
Wnt/beta-catenin

>  <Form> (165)
Free Base

>  <CAS> (165)
1127442-82-3

>  <URL> (165)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/05132010362D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (166)
2357

>  <Formula> (166)
C8H5NO4S

>  <MolWeight> (166)
211.1946

>  <Cat> (166)
S7024

>  <Name> (166)
Stattic

>  <Synonyms> (166)
N/A

>  <Target> (166)
STAT

>  <Form> (166)
Free Base

>  <CAS> (166)
19983-44-9

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

$$$$
Butein.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (167)
2363

>  <Formula> (167)
C15H12O5

>  <MolWeight> (167)
272.25278

>  <Cat> (167)
S8036

>  <Name> (167)
Butein

>  <Synonyms> (167)
N/A

>  <Target> (167)
EGFR

>  <Form> (167)
Free Base

>  <CAS> (167)
487-52-5

>  <URL> (167)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/05132010362D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (168)
2371

>  <Formula> (168)
C18H16N2O2

>  <MolWeight> (168)
292.33184

>  <Cat> (168)
S7099

>  <Name> (168)
(-)-Blebbistatin

>  <Synonyms> (168)
N/A

>  <Target> (168)
ATPase

>  <Form> (168)
Free Base

>  <CAS> (168)
856925-71-8

>  <URL> (168)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
untitled.cdx
csChFnd80/05132010362D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (169)
2378

>  <Formula> (169)
C21H16N6O2S2

>  <MolWeight> (169)
448.52074

>  <Cat> (169)
S1118

>  <Name> (169)
XL147 analogue

>  <Synonyms> (169)
SAR245408

>  <Target> (169)
PI3K 

>  <Form> (169)
Free Base

>  <CAS> (169)
956958-53-5

>  <URL> (169)
http://www.selleckchem.com/products/XL147.html

$$$$
Ellagic acid.cdx
csChFnd80/05132010362D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (170)
2394

>  <Formula> (170)
C14H6O8

>  <MolWeight> (170)
302.19264

>  <Cat> (170)
S1327

>  <Name> (170)
Ellagic acid

>  <Synonyms> (170)
N/A

>  <Target> (170)
Topoisomerases

>  <Form> (170)
Free Base

>  <CAS> (170)
476-66-4

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

$$$$
Ketoconazole.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (171)
2398

>  <Formula> (171)
C26H28Cl2N4O4

>  <MolWeight> (171)
531.43092

>  <Cat> (171)
S1353

>  <Name> (171)
Ketoconazole

>  <Synonyms> (171)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (171)
P450

>  <Form> (171)
Free Base

>  <CAS> (171)
65277-42-1

>  <URL> (171)
http://www.selleckchem.com/products/Ketoconazole.html

$$$$
bms-707035.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (172)
2399

>  <Formula> (172)
C18H11N3O2S

>  <MolWeight> (172)
333.36384

>  <Cat> (172)
S1360

>  <Name> (172)
GSK1059615

>  <Synonyms> (172)
N/A

>  <Target> (172)
PI3K, mTOR

>  <Form> (172)
Free Base

>  <CAS> (172)
958852-01-2

>  <URL> (172)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
S3003 Dinoprostone.cdx
csChFnd80/05132010362D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (173)
2403

>  <Formula> (173)
C20H32O5

>  <MolWeight> (173)
352.46508

>  <Cat> (173)
S3003

>  <Name> (173)
Dinoprostone

>  <Form> (173)
free base

>  <CAS> (173)
363-24-6

$$$$
LY2228820.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (174)
2407

>  <Formula> (174)
C26H37FN6O6S2

>  <MolWeight> (174)
612.7369832

>  <Cat> (174)
S1494

>  <Name> (174)
LY2228820

>  <Synonyms> (174)
N/A

>  <Target> (174)
p38 MAPK

>  <Form> (174)
Dimesylate

>  <CAS> (174)
862507-23-1

>  <URL> (174)
http://www.selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/05132010362D

  7  5  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (175)
2428

>  <Formula> (175)
C4H7NaO2

>  <MolWeight> (175)
110.08695

>  <Cat> (175)
S1999

>  <Name> (175)
Sodium butyrate

>  <Synonyms> (175)
Butyric acid sodium salt

>  <Target> (175)
HDAC

>  <Form> (175)
Sodium Salt

>  <CAS> (175)
156-54-7

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

$$$$
PK-1587.cdx
csChFnd80/05132010362D

 45 50  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 13  8  1  0  0  0  0
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 18  7  1  0  0  0  0
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 34 28  1  0  0  0  0
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 42 36  1  0  0  0  0
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 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END
>  <Mol_ID> (176)
2453

>  <Formula> (176)
C32H41N9O4

>  <MolWeight> (176)
615.72584

>  <Cat> (176)
S2628

>  <Name> (176)
PF-05212384 (PKI-587)

>  <Synonyms> (176)
N/A 

>  <Target> (176)
mTOR, PI3K

>  <Form> (176)
Free Base

>  <CAS> (176)
1197160-78-3

>  <URL> (176)
http://www.selleckchem.com/products/pki587.html

$$$$
3.cdx
csChFnd80/05132010362D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    2.1544    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7447    4.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8447    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9398    4.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (177)
2454

>  <Formula> (177)
C26H24F4N6O

>  <MolWeight> (177)
512.5019728

>  <Cat> (177)
S2157

>  <Name> (177)
Taladegib (LY2940680)

>  <Synonyms> (177)
N/A

>  <Target> (177)
Hedgehog, Smoothened

>  <Form> (177)
Free Base

>  <CAS> (177)
1258861-20-9

>  <URL> (177)
http://www.selleckchem.com/products/ly2940680.html

$$$$
Trazodone hydrochloride.cdx
csChFnd80/05132010362D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (178)
2464

>  <Formula> (178)
C19H23Cl2N5O

>  <MolWeight> (178)
408.32482

>  <Cat> (178)
S2582

>  <Name> (178)
Trazodone hydrochloride (Desyrel)

>  <Synonyms> (178)
N/A 

>  <Target> (178)
5-HT Receptor

>  <Form> (178)
Hydrochloride

>  <CAS> (178)
25332-39-2 

>  <URL> (178)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/05132010362D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (179)
2465

>  <Formula> (179)
C23H14Na2O11

>  <MolWeight> (179)
512.3302

>  <Cat> (179)
S1911

>  <Name> (179)
Disodium Cromoglycate

>  <Synonyms> (179)
Gynazole

>  <Target> (179)
Calcium Channel

>  <Form> (179)
Disodium Salt

>  <CAS> (179)
15826-37-6

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

$$$$
Wnt-C59 (C59).cdx
csChFnd80/05132010362D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (180)
2478

>  <Formula> (180)
C25H21N3O

>  <MolWeight> (180)
379.45374

>  <Cat> (180)
S7037

>  <Name> (180)
Wnt-C59 (C59)

>  <Synonyms> (180)
N/A

>  <Target> (180)
Wnt/beta-catenin

>  <Form> (180)
Free Base

>  <CAS> (180)
1243243-89-1

>  <URL> (180)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
Nefopam HCl.cdx
csChFnd80/05132010362D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (181)
2481

>  <Formula> (181)
C17H20ClNO

>  <MolWeight> (181)
289.7998

>  <Cat> (181)
S4180

>  <Name> (181)
Nefopam HCl

>  <Synonyms> (181)
N/A

>  <Target> (181)
Others

>  <Form> (181)
Hydrochloride

>  <CAS> (181)
23327-57-3

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

$$$$
AZD8186.cdx
csChFnd80/05132010362D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (182)
2512

>  <Formula> (182)
C24H25F2N3O4

>  <MolWeight> (182)
457.4698064

>  <Cat> (182)
S7694

>  <Name> (182)
AZD8186

>  <Synonyms> (182)
N/A

>  <Target> (182)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (182)
Free Base

>  <CAS> (182)
1627494-13-6

>  <URL> (182)
http://www.selleckchem.com/products/azd8186.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/05132010362D

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 13  7  1  1  0  0  0
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (183)
2513

>  <Formula> (183)
C18H23N5NaO8P

>  <MolWeight> (183)
491.367451

>  <Cat> (183)
S7858

>  <Name> (183)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (183)
dbcAMP

>  <Target> (183)
PKA

>  <Form> (183)
sodium salt

>  <CAS> (183)
16980-89-5

>  <URL> (183)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/05132010362D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (184)
2517

>  <Formula> (184)
C10H10BrN5NaO6P

>  <MolWeight> (184)
430.083831

>  <Cat> (184)
S7857

>  <Name> (184)
8-Bromo-cAMP

>  <Synonyms> (184)
N/A

>  <Target> (184)
PKA

>  <Form> (184)
sodium salt

>  <CAS> (184)
76939-46-3

>  <URL> (184)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/05132010362D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 14 15  1  6  0  0  0
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 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
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 32 15  1  0  0  0  0
 30 33  1  1  0  0  0
 33 34  1  0  0  0  0
M  CFW  36 BOND_GSTEREO 5
M  END
>  <Mol_ID> (185)
2520

>  <Formula> (185)
C28H29Cl2N3OS

>  <MolWeight> (185)
526.52036

>  <Cat> (185)
S7779

>  <Name> (185)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (185)
N/A

>  <Target> (185)
Hedgehog/Smoothened

>  <Form> (185)
Hydrochloride

>  <CAS> (185)
912545-86-9

>  <URL> (185)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/05132010362D

 34 36  0  0  0  0  0  0  0  0999 V2000
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 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (186)
2526

>  <Formula> (186)
C28H32O6

>  <MolWeight> (186)
464.55008

>  <Cat> (186)
S7259

>  <Name> (186)
FLLL32

>  <Synonyms> (186)
N/A

>  <Target> (186)
JAK

>  <Form> (186)
Free Base

>  <CAS> (186)
1226895-15-3

>  <URL> (186)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/05132010362D

 40 43  0  0  0  0  0  0  0  0999 V2000
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Sodium Tauroursodeoxycholate (TUDC)

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N/A

>  <Target> (187)
Antifection

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sodium salt

>  <CAS> (187)
35807-85-3

>  <URL> (187)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
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PI3K

>  <Form> (188)
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>  <CAS> (188)
1282512-48-4

>  <URL> (188)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
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csChFnd80/05132010362D

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N/A

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Others

>  <Form> (189)
Free Base

>  <CAS> (189)
832115-62-5

>  <URL> (189)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
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csChFnd80/05132010362D

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>  <Name> (190)
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>  <Synonyms> (190)
N/A

>  <Target> (190)
Gamma-secretase

>  <Form> (190)
Free Base

>  <CAS> (190)
1290543-63-3

>  <URL> (190)
http://www.selleckchem.com/products/pf-03084014-pf-3084014.html

$$$$

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M  END
>  <Mol_ID> (191)
2548

>  <Formula> (191)
C17H16N2O3

>  <MolWeight> (191)
296.32054

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S7667

>  <Name> (191)
SU5402

>  <Synonyms> (191)
N/A

>  <Target> (191)
VEGFR

>  <Form> (191)
Free Base

>  <CAS> (191)
215543-92-3

>  <URL> (191)
http://www.selleckchem.com/products/su5402.html

$$$$
P7C3.cdx
csChFnd80/05132010362D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (192)
2551

>  <Formula> (192)
C21H18Br2N2O

>  <MolWeight> (192)
474.18842

>  <Cat> (192)
S7968

>  <Name> (192)
P7C3

>  <Synonyms> (192)
N/A

>  <Target> (192)
NAMPT

>  <Form> (192)
Free Base

>  <CAS> (192)
301353-96-8

>  <URL> (192)
http://www.selleckchem.com/products/p7c3.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/05132010362D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (193)
2554

>  <Formula> (193)
C18H12BrN3O3

>  <MolWeight> (193)
398.21018

>  <Cat> (193)
S7915

>  <Name> (193)
BIO-acetoxime

>  <Synonyms> (193)
N/A

>  <Target> (193)
GSK-3

>  <Form> (193)
Free Base

>  <CAS> (193)
667463-85-6

>  <URL> (193)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/05132010362D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
2557

>  <Formula> (194)
C21H16FN7

>  <MolWeight> (194)
385.3970432

>  <Cat> (194)
S7813

>  <Name> (194)
AMG319

>  <Synonyms> (194)
N/A

>  <Target> (194)
PI3K

>  <Form> (194)
Free Base

>  <CAS> (194)
1608125-21-8

>  <URL> (194)
http://www.selleckchem.com/products/amg319.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/05132010362D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (195)
2570

>  <Formula> (195)
C8H16O2

>  <MolWeight> (195)
144.21144

>  <Cat> (195)
S3944

>  <Name> (195)
Valproic acid

>  <Synonyms> (195)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (195)
HDAC1

>  <Form> (195)
free base

>  <CAS> (195)
99-66-1

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

$$$$
S3788 Carvacrol.cdx
csChFnd80/05132010362D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (196)
2585

>  <Formula> (196)
C10H14O

>  <MolWeight> (196)
150.21756

>  <Cat> (196)
S3788

>  <Name> (196)
Carvacrol

>  <Synonyms> (196)
cymophenol

>  <Target> (196)
Others

>  <Form> (196)
free base

>  <CAS> (196)
499-75-2

>  <URL> (196)
http://www.selleckchem.com/products/carvacrol.html

$$$$
Minocycline hydrochloride.cdx
csChFnd80/05132010362D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (197)
2608

>  <Formula> (197)
C23H28ClN3O7

>  <MolWeight> (197)
493.93732

>  <Cat> (197)
S4226

>  <Name> (197)
Minocycline HCl

>  <Synonyms> (197)
N/A

>  <Target> (197)
Antifectio

>  <Form> (197)
Hydrochloride

>  <CAS> (197)
13614-98-7

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

$$$$
SKI II (SphK-I2).cdx
csChFnd80/05132010362D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (198)
2617

>  <Formula> (198)
C15H11ClN2OS

>  <MolWeight> (198)
302.77864

>  <Cat> (198)
S7176

>  <Name> (198)
SKI II

>  <Synonyms> (198)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (198)
S1P Receptor

>  <Form> (198)
Free Base

>  <CAS> (198)
312636-16-1

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

$$$$
purmorphamine.cdx
csChFnd80/05132010362D

 39 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
2620

>  <Formula> (199)
C31H32N6O2

>  <MolWeight> (199)
520.62478

>  <Cat> (199)
S3042

>  <Name> (199)
Purmorphamine

>  <Synonyms> (199)
N/A

>  <Target> (199)
Hedgehog/Smoothened

>  <Form> (199)
Free Base

>  <CAS> (199)
483367-10-8

>  <URL> (199)
http://www.selleckchem.com/products/purmorphamine.html

$$$$
brefeldin A.cdx
csChFnd80/05132010362D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (200)
2622

>  <Formula> (200)
C16H24O4

>  <MolWeight> (200)
280.35936

>  <Cat> (200)
S7046

>  <Name> (200)
Brefeldin A 

>  <Synonyms> (200)
BFA

>  <Target> (200)
ATPase

>  <Form> (200)
Free Base

>  <CAS> (200)
20350-15-6

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

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/05132010362D

 22 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (201)
2628

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C16H10BrN3O2

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356.1735

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S7198

>  <Name> (201)
BIO

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

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GSK-3

>  <Form> (201)
Free Base

>  <CAS> (201)
667463-62-9

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

$$$$
OAC1.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (202)
2631

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C14H11N3O

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237.25664

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S7217

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OAC1

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Oct4-activating Compound 1

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Others

>  <Form> (202)
Free Base

>  <CAS> (202)
300586-90-7

>  <URL> (202)
http://www.selleckchem.com/products/oac1.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/05132010362D

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>  <Mol_ID> (203)
2632

>  <Formula> (203)
C17H13N5

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287.31862

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S7223

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RepSox

>  <Synonyms> (203)
E-616452, SJN 2511

>  <Target> (203)
TGF-beta/Smad

>  <Form> (203)
Free Base

>  <CAS> (203)
446859-33-2

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

$$$$
AZD2858.cdx
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>  <Mol_ID> (204)
2635

>  <Formula> (204)
C21H23N7O3S

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453.51742

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S7253

>  <Name> (204)
AZD2858

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N/A

>  <Target> (204)
GSK-3

>  <Form> (204)
Free Base

>  <CAS> (204)
486424-20-8

>  <URL> (204)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (205)
2637

>  <Formula> (205)
C23H26ClNO

>  <MolWeight> (205)
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>  <Cat> (205)
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>  <Name> (205)
ZM 39923 HCl

>  <Synonyms> (205)
N/A

>  <Target> (205)
JAK

>  <Form> (205)
HCl

>  <CAS> (205)
1021868-92-7

>  <URL> (205)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/05132010362D

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N/A

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Dehydrogenase

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Free Base

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91396-88-2

>  <URL> (206)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

$$$$
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>  <Cat> (207)
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>  <Name> (207)
Ro 31-8220 Mesylate

>  <Synonyms> (207)
Bisindolylmaleimide IX Mesylate

>  <Target> (207)
PKC

>  <Form> (207)
Mesylate

>  <CAS> (207)
138489-18-6

>  <URL> (207)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
CZC24832.cdx
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N/A

>  <Target> (208)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (208)
Free Base

>  <CAS> (208)
1159824-67-5

>  <URL> (208)
http://www.selleckchem.com/products/czc24832.html

$$$$
pimozide.cdx
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>  <Cat> (209)
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pimozide

>  <Synonyms> (209)
N/A

>  <Target> (209)
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2062-78-4

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

$$$$
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C21H27ClN2S2

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>  <Cat> (210)
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>  <Name> (210)
Thioridazine hydrochloride

>  <Synonyms> (210)
Aldazine, Mellaril

>  <Target> (210)
Others

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hydrochloride 

>  <CAS> (210)
130-61-0

>  <URL> (210)
http://selleckchem.com/products/thioridazine-hydrochloride.html

$$$$
BMS-833923 (XL139).cdx
csChFnd80/05132010362D

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2712

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C30H27N5O

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BMS-833923 (XL139)

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XL139

>  <Target> (211)
Hedgehog/Smoothened

>  <Form> (211)
Free Base

>  <CAS> (211)
1059734-66-5

>  <URL> (211)
http://www.selleckchem.com/products/bms-833923.html

$$$$
XL019.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (212)
2716

>  <Formula> (212)
C25H28N6O2

>  <MolWeight> (212)
444.52882

>  <Cat> (212)
S7036

>  <Name> (212)
XL019

>  <Synonyms> (212)
N/A

>  <Target> (212)
JAK

>  <Form> (212)
Free Base

>  <CAS> (212)
945755-56-6

>  <URL> (212)
http://www.selleckchem.com/products/xl019.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/05132010362D

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C28H32N4O3

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>  <Name> (213)
Pacritinib (SB1518)

>  <Synonyms> (213)
N/A

>  <Target> (213)
JAK

>  <Form> (213)
Free Base

>  <CAS> (213)
937272-79-2

>  <URL> (213)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
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N/A

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NAMPT

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Free Base

>  <CAS> (214)
894187-61-2

>  <URL> (214)
http://www.selleckchem.com/products/stf-118804.html

$$$$
ID-8.cdx
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>  <Mol_ID> (215)
2739

>  <Formula> (215)
C16H14N2O4

>  <MolWeight> (215)
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ID-8

>  <Synonyms> (215)
N/A

>  <Target> (215)
DYRK

>  <Form> (215)
Free Base

>  <CAS> (215)
147591-46-6

>  <URL> (215)
http://www.selleckchem.com/products/id-8.html

$$$$
LGK-974.cdx
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>  <Mol_ID> (216)
2744

>  <Formula> (216)
C23H20N6O

>  <MolWeight> (216)
396.4445

>  <Cat> (216)
S7143

>  <Name> (216)
LGK-974

>  <Synonyms> (216)
N/A

>  <Target> (216)
Wnt/beta-catenin

>  <Form> (216)
Free Base

>  <CAS> (216)
1243244-14-5

>  <URL> (216)
http://www.selleckchem.com/products/lgk-974.html

$$$$
LM-3096 IWP L6.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (217)
2750

>  <Formula> (217)
C25H20N4O2S2

>  <MolWeight> (217)
472.5819

>  <Cat> (217)
S7301

>  <Name> (217)
IWP L6

>  <Synonyms> (217)
Porcn Inhibitor III

>  <Target> (217)
Wnt/beta-catenin

>  <Form> (217)
Free Base

>  <CAS> (217)
1427782-89-5

>  <URL> (217)
http://www.selleckchem.com/products/iwp-l6.html

$$$$
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>  <Mol_ID> (218)
2754

>  <Formula> (218)
C12H12N4O4S

>  <MolWeight> (218)
308.31308

>  <Cat> (218)
S7435

>  <Name> (218)
AR-A014418

>  <Synonyms> (218)
GSK-3¦Â Inhibitor VIII

>  <Target> (218)
GSK-3

>  <Form> (218)
Free Base

>  <CAS> (218)
487021-52-3

>  <URL> (218)
http://www.selleckchem.com/products/ar-a014418.html

$$$$
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TGF-beta/Smad

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Free Base

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1431985-92-0

>  <URL> (219)
http://www.selleckchem.com/products/k02288.html

$$$$
FLI-06.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (220)
2761

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C25H30N2O5

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438.5161

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S7399

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FLI-06

>  <Synonyms> (220)
N/A

>  <Target> (220)
Gamma-secretase

>  <Form> (220)
Free Base

>  <CAS> (220)
313967-18-9

>  <URL> (220)
http://www.selleckchem.com/products/fli-06.html

$$$$
LDN193189 HCl.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (221)
2776

>  <Formula> (221)
C25H23ClN6

>  <MolWeight> (221)
442.94332

>  <Cat> (221)
S7507

>  <Name> (221)
LDN193189 HCl

>  <Synonyms> (221)
N/A

>  <Target> (221)
TGF-beta/Smad

>  <Form> (221)
Hydrochloride

>  <CAS> (221)
1062368-62-0

>  <URL> (221)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
1-Azakenpaullone.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (222)
2779

>  <Formula> (222)
C15H10BrN3O

>  <MolWeight> (222)
328.1634

>  <Cat> (222)
S7193

>  <Name> (222)
1-Azakenpaullone

>  <Synonyms> (222)
N/A

>  <Target> (222)
GSK-3

>  <Form> (222)
Free Base

>  <CAS> (222)
676596-65-9

>  <URL> (222)
http://www.selleckchem.com/products/1-azakenpaullone.html

$$$$
ML347.cdx
csChFnd80/05132010362D

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1432597-26-6

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838818-26-1

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837422-57-8

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http://www.selleckchem.com/products/wh-4-023.html

$$$$
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csChFnd80/05132010362D

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PTEN

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345630-40-2

>  <URL> (237)
http://www.selleckchem.com/products/sf1670.html

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GSK-3

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1129669-05-1

>  <URL> (238)
http://www.selleckchem.com/products/im-12.html

$$$$
filgotinib.cdx
csChFnd80/05132010362D

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1206161-97-8

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1352608-82-2

>  <URL> (240)
http://www.selleckchem.com/products/ew-7197.html

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4727-31-5

>  <URL> (241)
http://www.selleckchem.com/products/kartogenin.html

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1246560-33-7

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M  END
>  <Mol_ID> (243)
2924

>  <Formula> (243)
C25H24N4O2

>  <MolWeight> (243)
412.48366

>  <Cat> (243)
S7208

>  <Name> (243)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (243)
GO 6850

>  <Target> (243)
PKC

>  <Form> (243)
Free Base

>  <CAS> (243)
133052-90-1

>  <URL> (243)
http://www.selleckchem.com/products/gf109203x.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/05132010362D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (244)
2932

>  <Formula> (244)
C20H28ClN7O3S

>  <MolWeight> (244)
481.99942

>  <Cat> (244)
S7634

>  <Name> (244)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (244)
N/A

>  <Target> (244)
JAK

>  <Form> (244)
Hydrochloride

>  <CAS> (244)
1369761-01-2

>  <URL> (244)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
Reversine.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (245)
2955

>  <Formula> (245)
C21H27N7O

>  <MolWeight> (245)
393.48538

>  <Cat> (245)
S7588

>  <Name> (245)
Reversine

>  <Synonyms> (245)
N/A

>  <Target> (245)
Adenosine Receptor

>  <Form> (245)
Free Base

>  <CAS> (245)
656820-32-5

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

$$$$
Piperlongumine.cdx
csChFnd80/05132010362D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (246)
2958

>  <Formula> (246)
C17H19NO5

>  <MolWeight> (246)
317.33646

>  <Cat> (246)
S7551

>  <Name> (246)
Piperlongumine

>  <Synonyms> (246)
PPLGM

>  <Target> (246)
ROS,CRM

>  <Form> (246)
Free Base

>  <CAS> (246)
20069-09-4

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

$$$$
AT13148.cdx
csChFnd80/05132010362D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (247)
2959

>  <Formula> (247)
C17H16ClN3O

>  <MolWeight> (247)
313.78144

>  <Cat> (247)
S7563

>  <Name> (247)
AT13148

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N/A

>  <Target> (247)
Akt

>  <Form> (247)
Free Base

>  <CAS> (247)
1056901-62-2

>  <URL> (247)
http://www.selleckchem.com/products/at13148.html

$$$$
PI-3065.cdx
csChFnd80/05132010362D

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3047

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C25H25ClN6O4S

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>  <Target> (260)
PI3K

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Free Base

>  <CAS> (260)
934526-89-3

>  <URL> (260)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
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csChFnd80/05132010362D

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C21H22Cl2N4O2

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Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (261)
N/A

>  <Target> (261)
ERK

>  <Form> (261)
Free Base

>  <CAS> (261)
869886-67-9

>  <URL> (261)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/05132010362D

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3062

>  <Formula> (262)
C24H25N5O

>  <MolWeight> (262)
399.4882

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S7840

>  <Name> (262)
Dorsomorphin (Compound C)

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Compound C, BML-275

>  <Target> (262)
AMPK

>  <Form> (262)
Free Base

>  <CAS> (262)
866405-64-3

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

$$$$

csChFnd80/05132010362D

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>  <Mol_ID> (263)
3069

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C26H28N4O3

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DEL-22379

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ERK

>  <Form> (263)
Free Base

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181223-80-3

>  <URL> (263)
http://www.selleckchem.com/products/del-22379.html

$$$$
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csChFnd80/05132010362D

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C14H8O4

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Napabucasin

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N/A

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STAT

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Free Base

>  <CAS> (264)
83280-65-3

>  <URL> (264)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
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csChFnd80/05132010362D

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M  END
>  <Mol_ID> (273)
3108

>  <Formula> (273)
C27H34N4O5

>  <MolWeight> (273)
494.58266

>  <Cat> (273)
S7238

>  <Name> (273)
NVP-TNKS656

>  <Synonyms> (273)
N/A

>  <Target> (273)
PARP

>  <Form> (273)
Free Base

>  <CAS> (273)
1419949-20-4

>  <URL> (273)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (274)
3113

>  <Formula> (274)
C15H23ClFN3O4S

>  <MolWeight> (274)
395.8772232

>  <Cat> (274)
S7995

>  <Name> (274)
Ripasudil (K-115)

>  <Synonyms> (274)
N/A

>  <Target> (274)
ROCK

>  <Form> (274)
Hydrochloride dihydrate

>  <CAS> (274)
887375-67-9

>  <URL> (274)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/05132010362D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (275)
3124

>  <Formula> (275)
C26H24N6O2

>  <MolWeight> (275)
452.50776

>  <Cat> (275)
S7936

>  <Name> (275)
KD025 (SLx-2119)

>  <Synonyms> (275)
N/A

>  <Target> (275)
ROCK

>  <Form> (275)
Free Base

>  <CAS> (275)
911417-87-3

>  <URL> (275)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/05132010362D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
3130

>  <Formula> (276)
C19H14O4

>  <MolWeight> (276)
306.31206

>  <Cat> (276)
S7951

>  <Name> (276)
STA-21

>  <Synonyms> (276)
N/A

>  <Target> (276)
STAT

>  <Form> (276)
Free Base

>  <CAS> (276)
111540-00-2

>  <URL> (276)
http://www.selleckchem.com/products/sta-21.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (277)
3142

>  <Formula> (277)
C19H19ClN4O3

>  <MolWeight> (277)
386.83216

>  <Cat> (277)
S8178

>  <Name> (277)
Wnt agonist 1

>  <Synonyms> (277)
N/A

>  <Target> (277)
Wnt/beta-catenin

>  <Form> (277)
Hydrochloride

>  <CAS> (277)
853220-52-7(free-base)

>  <URL> (277)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
Bay K 8644.cdx
csChFnd80/05132010362D

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1383716-40-2

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http://www.selleckchem.com/products/l755507.html

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M  END
>  <Mol_ID> (294)
3260

>  <Formula> (294)
C28H29ClN4O3

>  <MolWeight> (294)
505.00786

>  <Cat> (294)
S7663

>  <Name> (294)
LY333531 HCl

>  <Synonyms> (294)
Ruboxistaurin

>  <Target> (294)
PKC

>  <Form> (294)
hydrochloride

>  <CAS> (294)
169939-93-9

>  <URL> (294)
http://www.selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (295)
3264

>  <Formula> (295)
C28H28ClN3O3

>  <MolWeight> (295)
489.99322

>  <Cat> (295)
S7959

>  <Name> (295)
SIS3 HCl

>  <Synonyms> (295)
N/A

>  <Target> (295)
TGF-beta/Smad

>  <Form> (295)
hydrochloride

>  <CAS> (295)
521984-48-5

>  <URL> (295)
http://www.selleckchem.com/products/sis3.html

$$$$
MK-4101.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (296)
3265

>  <Formula> (296)
C24H24F5N5O

>  <MolWeight> (296)
493.472276

>  <Cat> (296)
S8200

>  <Name> (296)
MK-4101

>  <Synonyms> (296)
N/A

>  <Target> (296)
Hedgehog/Smoothened

>  <Form> (296)
Free Base

>  <CAS> (296)
935273-79-3

>  <URL> (296)
http://www.selleckchem.com/products/mk-4101.html

$$$$
VO-Ohpic.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (297)
3266

>  <Formula> (297)
C12H15N2O11V

>  <MolWeight> (297)
414.1958

>  <Cat> (297)
S8174

>  <Name> (297)
VO-Ohpic trihydrate

>  <Synonyms> (297)
N/A

>  <Target> (297)
Others

>  <Form> (297)
trihydrate

>  <CAS> (297)
476310-60-8

>  <URL> (297)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
KYA1797K.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (298)
3275

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C17H11KN2O6S2

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442.50734

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S8327

>  <Name> (298)
KYA1797K

>  <Synonyms> (298)
N/A

>  <Target> (298)
Wnt/beta-catenin

>  <Form> (298)
potassium salt

>  <CAS> (298)
1956356-56-1

>  <URL> (298)
http://www.selleckchem.com/products/kya1797k.html

$$$$
AZD8835.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (299)
3276

>  <Formula> (299)
C22H31N9O3

>  <MolWeight> (299)
469.54004

>  <Cat> (299)
S7966

>  <Name> (299)
AZD8835

>  <Synonyms> (299)
N/A

>  <Target> (299)
PI3K

>  <Form> (299)
Free Base

>  <CAS> (299)
1620576-64-8

>  <URL> (299)
http://www.selleckchem.com/products/azd8835.html

$$$$
BMS-911543.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (300)
3288

>  <Formula> (300)
C23H28N8O

>  <MolWeight> (300)
432.52142

>  <Cat> (300)
S7144

>  <Name> (300)
BMS-911543

>  <Synonyms> (300)
N/A

>  <Target> (300)
JAK

>  <Form> (300)
Free Base

>  <CAS> (300)
1271022-90-2

>  <URL> (300)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (301)
3290

>  <Formula> (301)
C23H22O6

>  <MolWeight> (301)
394.41718

>  <Cat> (301)
S8132

>  <Name> (301)
Deguelin

>  <Synonyms> (301)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (301)
Akt

>  <Form> (301)
Free Base

>  <CAS> (301)
522-17-8

>  <URL> (301)
http://www.selleckchem.com/products/deguelin.html

$$$$
Alantolactone.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (302)
3303

>  <Formula> (302)
C15H20O2

>  <MolWeight> (302)
232.3181

>  <Cat> (302)
S8318

>  <Name> (302)
Alantolactone

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helenin, helenine, Eupatal

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <CAS> (302)
546-43-0

>  <URL> (302)
http://www.selleckchem.com/products/alantolactone.html

$$$$
SKL2001.cdx
csChFnd80/05132010362D

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 10  6  1  0  0  0  0
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (303)
3305

>  <Formula> (303)
C14H14N4O3

>  <MolWeight> (303)
286.28596

>  <Cat> (303)
S8320

>  <Name> (303)
SKL2001

>  <Synonyms> (303)
N/A

>  <Target> (303)
Wnt/beta-catenin

>  <Form> (303)
Free Base

>  <CAS> (303)
909089-13-0

>  <URL> (303)
http://www.selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (304)
3315

>  <Formula> (304)
C29H31ClN8O5

>  <MolWeight> (304)
607.06004

>  <Cat> (304)
S7687

>  <Name> (304)
GSK269962 HCl

>  <Synonyms> (304)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (304)
ROCK

>  <Form> (304)
hydrochloride

>  <CAS> (304)
850664-21-0(free base)

>  <URL> (304)
http://www.selleckchem.com/products/gsk269962.html

$$$$
GDC-0084.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (305)
3327

>  <Formula> (305)
C18H22N8O2

>  <MolWeight> (305)
382.41968

>  <Cat> (305)
S8163

>  <Name> (305)
GDC-0084

>  <Synonyms> (305)
N/A

>  <Target> (305)
PI3K

>  <Form> (305)
Free Base

>  <CAS> (305)
1382979-44-3

>  <URL> (305)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
XMU-MP-1.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (306)
3341

>  <Formula> (306)
C17H16N6O3S2

>  <MolWeight> (306)
416.47734

>  <Cat> (306)
S8334

>  <Name> (306)
XMU-MP-1

>  <Synonyms> (306)
N/A

>  <Target> (306)
Hippo pathway

>  <Form> (306)
Free Base

>  <URL> (306)
http://www.selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (307)
3342

>  <Formula> (307)
C16H18Cl2N4O

>  <MolWeight> (307)
353.24632

>  <Cat> (307)
S7935

>  <Name> (307)
Y-39983 HCl

>  <Synonyms> (307)
Y-33075 HCl

>  <Target> (307)
ROCK

>  <Form> (307)
dihydrochloride

>  <CAS> (307)
173897-44-4

>  <URL> (307)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/05132010362D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (308)
3346

>  <Formula> (308)
C21H20N2O3S

>  <MolWeight> (308)
380.4601

>  <Cat> (308)
S8448

>  <Name> (308)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (308)
N/A

>  <Target> (308)
ROCK

>  <Form> (308)
Free Base

>  <CAS> (308)
557782-81-7

>  <URL> (308)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
GSK2269557.cdx
csChFnd80/05132010362D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (309)
3353

>  <Formula> (309)
C26H28N6O

>  <MolWeight> (309)
440.54012

>  <Cat> (309)
S7937

>  <Name> (309)
GSK2269557

>  <Synonyms> (309)
Nemiralisib

>  <Target> (309)
PI3K

>  <Form> (309)
Free Base

>  <CAS> (309)
1254036-71-9

>  <URL> (309)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
LY3039478.cdx
csChFnd80/05132010362D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (310)
3356

>  <Formula> (310)
C22H23F3N4O4

>  <MolWeight> (310)
464.4376296

>  <Cat> (310)
S7169

>  <Name> (310)
LY3039478

>  <Synonyms> (310)
N/A

>  <Target> (310)
Gamma-secretase

>  <Form> (310)
Free Base

>  <CAS> (310)
1421438-81-4

>  <URL> (310)
http://www.selleckchem.com/products/ly3039478.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/05132010362D

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C21H25N7O

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>  <Name> (311)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (311)
N/A

>  <Target> (311)
PI3K

>  <Form> (311)
Free Base

>  <CAS> (311)
1383716-46-8

>  <URL> (311)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
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STAT

>  <Form> (312)
Free Base

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1334493-07-0

>  <URL> (312)
http://www.selleckchem.com/products/bp-1-102.html

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PNU-74654

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N/A

>  <Target> (313)
Wnt/beta-catenin

>  <Form> (313)
Free Base

>  <CAS> (313)
113906-27-7

>  <URL> (313)
http://www.selleckchem.com/products/pnu-74654.html

$$$$
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1456632-41-9

>  <URL> (314)
http://www.selleckchem.com/products/sh5-07.html

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M  END
>  <Mol_ID> (315)
3393

>  <Formula> (315)
C19H15N3O2

>  <MolWeight> (315)
317.3413

>  <Cat> (315)
S7954

>  <Name> (315)
CP21R7 (CP21)

>  <Synonyms> (315)
N/A

>  <Target> (315)
Wnt/beta-catenin

>  <Form> (315)
Free Base

>  <CAS> (315)
125314-13-8

>  <URL> (315)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (316)
3395

>  <Formula> (316)
C15H18O2

>  <MolWeight> (316)
230.30222

>  <Cat> (316)
S8291

>  <Name> (316)
Atractylenolide I

>  <Synonyms> (316)
N/A

>  <Target> (316)
Immunology & Inflammation related

>  <Form> (316)
Free Base

>  <CAS> (316)
73069-13-3
73069-13-3

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

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/05132010362D

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A   23
xH2O
M  END
>  <Mol_ID> (317)
3398

>  <Formula> (317)
C14H18ClN3O3RS

>  <MolWeight> (317)
343.82902

>  <Cat> (317)
S8208

>  <Name> (317)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (317)
N/A

>  <Target> (317)
ROCK

>  <Form> (317)
hydrochloride

>  <CAS> (317)
155558-32-0 (HCl salt)

>  <URL> (317)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
TGR-1202.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (318)
3403

>  <Formula> (318)
C31H24F3N5O3

>  <MolWeight> (318)
571.5491696

>  <Cat> (318)
S8194

>  <Name> (318)
TGR-1202

>  <Synonyms> (318)
Rp-5264

>  <Target> (318)
PI3K

>  <Form> (318)
Free Base

>  <CAS> (318)
1532533-67-7

>  <URL> (318)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
LF3.cdx
csChFnd80/05132010362D

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3412

>  <Formula> (319)
C20H24N4O2S2

>  <MolWeight> (319)
416.56016

>  <Cat> (319)
S8474

>  <Name> (319)
LF3

>  <Synonyms> (319)
N/A

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

>  <Form> (319)
Free Base

>  <CAS> (319)
664969-54-4

>  <URL> (319)
http://www.selleckchem.com/products/lf3.html

$$$$
Troglitazone (CS-045).cdx
csChFnd80/05132010362D

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3414

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C24H27NO5S

>  <MolWeight> (320)
441.53988

>  <Cat> (320)
S8432

>  <Name> (320)
Troglitazone (CS-045)

>  <Synonyms> (320)
Rezulin, Romglizone, Prelay, CS-045, CS045, CS 045, Romozin

>  <Target> (320)
PPAR

>  <Form> (320)
Free Base

>  <CAS> (320)
97322-87-7

>  <URL> (320)
http://www.selleckchem.com/products/troglitazone-cs-045.html

$$$$
GSK180736A.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (321)
3416

>  <Formula> (321)
C19H16FN5O2

>  <MolWeight> (321)
365.3610432

>  <Cat> (321)
S8489

>  <Name> (321)
GSK180736A

>  <Synonyms> (321)
N/A

>  <Target> (321)
ROCK

>  <Form> (321)
Free Base

>  <CAS> (321)
817194-38-0

>  <URL> (321)
http://www.selleckchem.com/products/gsk180736a.html

$$$$
BIX01294 3HCl.cdx
csChFnd80/05132010362D

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>  <Formula> (322)
C28H41Cl3N6O2

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>  <Cat> (322)
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>  <Name> (322)
BIX 01294

>  <Synonyms> (322)
N/A

>  <Target> (322)
Histone Methyltransferase

>  <Form> (322)
trihydrochloride

>  <CAS> (322)
1392399-03-9

>  <URL> (322)
http://www.selleckchem.com/products/bix-01294.html

$$$$
GDC-0326.cdx
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1282514-88-8

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>  <Target> (324)
Nanog

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free base

>  <CAS> (324)
1129403-56-0

>  <URL> (324)
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N/A

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DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

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free base

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1174428-47-7

>  <URL> (325)
http://www.selleckchem.com/products/sf2523.html

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PI3K¦Ã

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1693758-51-8

>  <URL> (326)
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>  <Mol_ID> (327)
3468

>  <Formula> (327)
C19H17N5O3

>  <MolWeight> (327)
363.36998

>  <Cat> (327)
S8581

>  <Name> (327)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (327)
N/A

>  <Target> (327)
PI3K¦Á 

>  <Form> (327)
Free base

>  <CAS> (327)
1268454-23-4

>  <URL> (327)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
HJC0152.cdx
csChFnd80/05132010362D

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3472

>  <Formula> (328)
C15H14Cl3N3O4

>  <MolWeight> (328)
406.64836

>  <Cat> (328)
S8561

>  <Name> (328)
HJC0152

>  <Synonyms> (328)
N/A

>  <Target> (328)
STAT3

>  <Form> (328)
hydrochloride

>  <CAS> (328)
1420290-99-8

>  <URL> (328)
http://www.selleckchem.com/products/hjc0152.html

$$$$
Autophinib.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (329)
3473

>  <Formula> (329)
C14H11ClN6O3

>  <MolWeight> (329)
346.72854

>  <Cat> (329)
S8596

>  <Name> (329)
Autophinib

>  <Synonyms> (329)
N/A

>  <Target> (329)
autophagy

>  <Form> (329)
free base

>  <CAS> (329)
1644443-47-9

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

$$$$
LW 6.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (330)
3475

>  <Formula> (330)
C26H29NO5

>  <MolWeight> (330)
435.51216

>  <Cat> (330)
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>  <Name> (330)
LW 6

>  <Synonyms> (330)
N/A

>  <Target> (330)
HIF-1¦Á

>  <Form> (330)
free base

>  <CAS> (330)
934593-90-5

>  <URL> (330)
http://www.selleckchem.com/products/lw-6.html

$$$$
LY3214996.cdx
csChFnd80/05132010362D

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LY3214996

>  <Synonyms> (331)
N/A

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ERK1,ERK2

>  <Form> (331)
free base

>  <CAS> (331)
1951483-29-6

>  <URL> (331)
http://www.selleckchem.com/products/ly3214996.html

$$$$
S3620 ¦Â-Glycerophosphate (sodium salt hydrate).cdx
csChFnd80/05132010362D

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>  <Mol_ID> (332)
3497

>  <Formula> (332)
C3H17Na2O11P

>  <MolWeight> (332)
306.113781

>  <Cat> (332)
S3620

>  <Name> (332)
¦Â-Glycerophosphate sodium salt hydrate

>  <Synonyms> (332)
N/A

>  <Target> (332)
phosphotase

>  <Form> (332)
sodium salt hydrate

>  <CAS> (332)
13408-09-8

>  <URL> (332)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

$$$$
LYN-1604.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (333)
3512

>  <Formula> (333)
C33H45Cl4N3O2

>  <MolWeight> (333)
657.5413

>  <Cat> (333)
S8597

>  <Name> (333)
LYN-1604

>  <Synonyms> (333)
N/A

>  <Target> (333)
ULK1

>  <Form> (333)
dihydrochloride

>  <CAS> (333)
2088939-99-3(free base)

>  <URL> (333)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
GNF-6231.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (334)
3513

>  <Formula> (334)
C24H25FN6O2

>  <MolWeight> (334)
448.4927032

>  <Cat> (334)
S8644

>  <Name> (334)
GNF-6231

>  <Synonyms> (334)
N/A

>  <Target> (334)
Porcupine

>  <Form> (334)
free base

>  <CAS> (334)
1243245-18-2

>  <URL> (334)
http://www.selleckchem.com/products/gnf-6231.html

$$$$
iCRT3.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (335)
3530

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iCRT3

>  <Synonyms> (335)
N/A

>  <Target> (335)
Wnt/¦Â-catenin

>  <Form> (335)
free base

>  <CAS> (335)
901751-47-1

>  <URL> (335)
http://www.selleckchem.com/products/icrt3.html

$$$$
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M  END
>  <Mol_ID> (336)
3531

>  <Formula> (336)
C27H21NO5S

>  <MolWeight> (336)
471.52434

>  <Cat> (336)
S8605

>  <Name> (336)
C188-9

>  <Synonyms> (336)
N/A

>  <Target> (336)
STAT3

>  <Form> (336)
free base

>  <CAS> (336)
432001-19-9

>  <URL> (336)
http://www.selleckchem.com/products/c188-9.html

$$$$
S3852 L-Theanine.cdx
csChFnd80/05132010362D

 12 11  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (337)
3546

>  <Formula> (337)
C7H14N2O3

>  <MolWeight> (337)
174.19766

>  <Cat> (337)
S3852

>  <Name> (337)
L-Theanine

>  <Synonyms> (337)
N/A

>  <Target> (337)
Others

>  <Form> (337)
free base

>  <CAS> (337)
3081-61-6

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

$$$$
CA3.cdx
csChFnd80/05132010362D

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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
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M  END
>  <Mol_ID> (338)
3556

>  <Formula> (338)
C23H27N3O5S2

>  <MolWeight> (338)
489.60758

>  <Cat> (338)
S8661

>  <Name> (338)
CA3

>  <Synonyms> (338)
N/A

>  <Target> (338)
YAP/TEAD interaction

>  <Form> (338)
free base

>  <CAS> (338)
300802-28-2

>  <URL> (338)
http://www.selleckchem.com/products/ca3.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/05132010362D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (339)
3584

>  <Formula> (339)
C6H6Na3O9P

>  <MolWeight> (339)
322.049511

>  <Cat> (339)
S5115

>  <Name> (339)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (339)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (339)
Others

>  <Form> (339)
sodium salt

>  <CAS> (339)
66170-10-3

>  <URL> (339)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/05132010362D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (340)
3587

>  <Formula> (340)
C15H19N5O

>  <MolWeight> (340)
285.34426

>  <Cat> (340)
S8538

>  <Name> (340)
PF-06651600

>  <Synonyms> (340)
N/A

>  <Target> (340)
JAK3 

>  <Form> (340)
free base

>  <CAS> (340)
1792180-81-4

>  <URL> (340)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
NGP 555.cdx
csChFnd80/05132010362D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (341)
3607

>  <Formula> (341)
C23H23FN4S

>  <MolWeight> (341)
406.5189232

>  <Cat> (341)
S8603

>  <Name> (341)
NGP 555

>  <Synonyms> (341)
N/A

>  <Target> (341)
¦Ã-secretase

>  <Form> (341)
free base

>  <CAS> (341)
1304630-27-0

>  <URL> (341)
http://www.selleckchem.com/products/npg-555.html

$$$$
2-D08.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (342)
3614

>  <Formula> (342)
C15H10O5

>  <MolWeight> (342)
270.2369

>  <Cat> (342)
S8696

>  <Name> (342)
2-D08
2-D08

>  <Synonyms> (342)
2',3',4'-trihydroxy flavone

>  <Target> (342)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (342)
free base

>  <CAS> (342)
144707-18-6

>  <URL> (342)
http://selleckchem.com/products/2-d08.html

$$$$
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3647

>  <Formula> (343)
C26H20N6O

>  <MolWeight> (343)
432.4766

>  <Cat> (343)
S8645

>  <Name> (343)
IWP-O1

>  <Synonyms> (343)
N/A

>  <Target> (343)
Wnt/beta-catenin

>  <Form> (343)
free base

>  <CAS> (343)
2074607-48-8

>  <URL> (343)
http://selleckchem.com/products/iwp-O1.html

$$$$
Tenalisib (RP6530).cdx
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3691

>  <Formula> (344)
C23H18FN5O2

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>  <Cat> (344)
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>  <Name> (344)
Tenalisib (RP6530)

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N/A

>  <Target> (344)
PI3K

>  <Form> (344)
free base

>  <CAS> (344)
1639417-53-0

>  <URL> (344)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
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  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 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
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 20  1  0  0  0  0
M  END
>  <Mol_ID> (345)
3692

>  <Formula> (345)
C20H20ClN5O2

>  <MolWeight> (345)
397.8581

>  <Cat> (345)
S8685

>  <Name> (345)
AS1517499

>  <Synonyms> (345)
N/A

>  <Target> (345)
STAT

>  <Form> (345)
free base

>  <CAS> (345)
919486-40-1

>  <URL> (345)
http://selleckchem.com/products/as1517499.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/05132010362D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    4.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4308    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    3.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9975    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2503    2.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6150    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9761    4.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7229    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6810    1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2887    1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
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  3  5  1  0  0  0  0
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 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (346)
3734

>  <Formula> (346)
C13H18N2O6

>  <MolWeight> (346)
298.29182

>  <Cat> (346)
S5060

>  <Name> (346)
 Metadoxine

>  <Synonyms> (346)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (346)
Others

>  <Form> (346)
salt

>  <CAS> (346)
74536-44-0

>  <URL> (346)
http://selleckchem.com/products/metadoxine.html

$$$$
bpV (HOpic).cdx
csChFnd80/05132010362D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.5013    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    1.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    3.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2576    1.3197    0.0000 V   0  1  0  0  0  0  0  0  0  0  0  0
   18.0805    2.4523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.2576    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    4.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5740    1.2170    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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  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
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  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
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  7 13  1  0  0  0  0
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 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (347)
3830

>  <Formula> (347)
C6H4K2NO8V

>  <MolWeight> (347)
347.23596

>  <Cat> (347)
S8651

>  <Name> (347)
bpV (HOpic)

>  <Synonyms> (347)
Bisperoxovanadium(HOpic)

>  <Target> (347)
PTEN

>  <Form> (347)
potassium 

>  <CAS> (347)
722494-26-0

>  <URL> (347)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/05132010362D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  1  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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (348)
3857

>  <Formula> (348)
C3H8NO6P

>  <MolWeight> (348)
185.072481

>  <Cat> (348)
S5137

>  <Name> (348)
O-Phospho-L-serine

>  <Synonyms> (348)
Dexfosfoserine

>  <Target> (348)
GluR

>  <Form> (348)
free base

>  <CAS> (348)
407-41-0

>  <URL> (348)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/05132010362D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    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
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (349)
3923

>  <Formula> (349)
C8H6BrN

>  <MolWeight> (349)
196.04394

>  <Cat> (349)
S5439

>  <Name> (349)
5-Bromoindole

>  <Synonyms> (349)
N/A

>  <Target> (349)
GSK-3

>  <Form> (349)
free base

>  <CAS> (349)
10075-50-0

>  <URL> (349)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/05132010362D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 32 54  1  1  0  0  0
 53 54  1  0  0  0  0
 23 26  1  0  0  0  0
 31 55  1  1  0  0  0
 24 28  1  0  0  0  0
 35 56  1  0  0  0  0
 27 25  1  0  0  0  0
 35 57  1  0  0  0  0
 25 26  2  0  0  0  0
 38 58  1  0  0  0  0
 27 28  1  0  0  0  0
 16 59  1  0  0  0  0
 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (350)
3931

>  <Formula> (350)
C42H68O13

>  <MolWeight> (350)
780.98152

>  <Cat> (350)
S5454

>  <Name> (350)
Saikosaponin D

>  <Synonyms> (350)
N/A

>  <Target> (350)
ATPase

>  <Form> (350)
free base

>  <CAS> (350)
20874-52-6

>  <URL> (350)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/05132010362D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    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    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  2  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
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 21 18  1  1  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
 27 31  1  1  0  0  0
 27 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (351)
3934

>  <Formula> (351)
C22H26O11

>  <MolWeight> (351)
466.43524

>  <Cat> (351)
S5457

>  <Name> (351)
Curculigoside

>  <Synonyms> (351)
Curculigoside A

>  <Target> (351)
Immunology & Inflammation related

>  <Form> (351)
free base

>  <CAS> (351)
85643-19-2

>  <URL> (351)
http://selleckchem.com/products/curculigoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/05132010362D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2618    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    4.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    4.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7210    3.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    2.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    3.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9821    5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2093    6.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  2  0  0  0  0
  8 10  1  0  0  0  0
 11  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (352)
3941

>  <Formula> (352)
C20H16O5

>  <MolWeight> (352)
336.33804

>  <Cat> (352)
S5464

>  <Name> (352)
Psoralidin

>  <Synonyms> (352)
N/A

>  <Target> (352)
Estrogen/progestogen Receptor

>  <Form> (352)
free base

>  <CAS> (352)
18642-23-4

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

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/05132010362D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (353)
3958

>  <Formula> (353)
C14H8O9

>  <MolWeight> (353)
320.20792

>  <Cat> (353)
S5516

>  <Name> (353)
Ellagic Acid hydrate

>  <Synonyms> (353)
N/A

>  <Target> (353)
Casein Kinase

>  <Form> (353)
monohydrate 

>  <CAS> (353)
 314041-08-2

>  <URL> (353)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5521 Eosin Y Disodium Trihydrate.cdx
csChFnd80/05132010362D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.0714    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2839    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9388    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2839    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3714    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714    6.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4346    0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    7.4870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    3.2870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    7.4870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.9212    3.2870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0652    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    6.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.9212    6.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0716    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.2125    6.1066    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 13  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 10 12  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 21  1  0  0  0  0
 16 24  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 24  1  0  0  0  0
 18 27  2  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (354)
3962

>  <Formula> (354)
C20H6Br4Na2O5

>  <MolWeight> (354)
691.85418

>  <Cat> (354)
S5521

>  <Name> (354)
Eosin Y Disodium

>  <Synonyms> (354)
N/A

>  <Target> (354)
Others

>  <Form> (354)
disodium salt

>  <CAS> (354)
17372-87-1

>  <URL> (354)
http://selleckchem.com/products/eosin-y-disodium.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/05132010362D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6999    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1411    5.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1344    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3536    6.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    7.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    5.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2555    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7798    6.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    4.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    8.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    7.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    8.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    7.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    6.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (355)
4027

>  <Formula> (355)
C20H18O6

>  <MolWeight> (355)
354.35332

>  <Cat> (355)
S3934

>  <Name> (355)
Acetyl Resveratrol

>  <Synonyms> (355)
N/A

>  <Target> (355)
Sirt12

>  <Form> (355)
free base

>  <CAS> (355)
42206-94-0

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

$$$$
S5265 TBB.cdx
csChFnd80/05132010362D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6325    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    2.7954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    3.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    1.6743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    5.5909    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3902    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2006    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  9  2  1  0  0  0  0
  6  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (356)
4041

>  <Formula> (356)
C6HBr4N3

>  <MolWeight> (356)
434.70824

>  <Cat> (356)
S5265

>  <Name> (356)
TBB

>  <Synonyms> (356)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (356)
Casein Kinase

>  <CAS> (356)
17374-26-4

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

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/05132010362D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    4.8497    2.8000    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
    4.8497    0.0000    0.0000 O   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (357)
4138

>  <Formula> (357)
C8H8O3

>  <MolWeight> (357)
152.14732

>  <Cat> (357)
S9374

>  <Name> (357)
2',5'-Dihydroxyacetophenone

>  <CAS> (357)
490-78-8

$$$$
S9416 Triptonide.cdx
csChFnd80/05132010362D

 27 33  0  0  0  0  0  0  0  0999 V2000
    3.4990    1.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    2.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9175    4.4920    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1224    3.7782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1511    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9267    5.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3557    5.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321    4.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7398    4.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7634    5.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5676    6.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5894    7.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1083    5.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9055    3.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5003    0.2973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896    2.3919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2896    3.7929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0764    3.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    4.5003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7027    3.7957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7112    5.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9057    1.6898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7044    2.3816    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7061    0.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2849    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
 11 12  2  0  0  0  0
 16  1  1  0  0  0  0
  4 13  1  1  0  0  0
  1 23  1  0  0  0  0
  3 14  1  6  0  0  0
 20 23  1  0  0  0  0
  1 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 16 18  1  1  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  7  5  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 19 21  1  6  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  6  0  0  0
 22 24  1  6  0  0  0
 20  3  1  0  0  0  0
 22  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
 16 25  1  0  0  0  0
  9 10  1  0  0  0  0
 25 26  1  0  0  0  0
 10 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (358)
4164

>  <Formula> (358)
C20H22O6

>  <MolWeight> (358)
358.38508

>  <Cat> (358)
S9416

>  <Name> (358)
Triptonide

>  <Form> (358)
free base

>  <CAS> (358)
38647-11-9

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/05132010362D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.4156    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    4.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    4.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    6.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0535    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2659    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6908    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6908    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4784    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2659    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0535    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    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  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (359)
4178

>  <Formula> (359)
C22H34O3

>  <MolWeight> (359)
346.50356

>  <Cat> (359)
S9432

>  <Name> (359)
Ginkgolic Acid

>  <Form> (359)
free base

>  <CAS> (359)
22910-60-7

$$$$

csChFnd80/05132010362D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6378    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    3.4902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    5.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    3.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    6.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9725    6.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7861    4.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    5.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    3.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    1.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    7.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (360)
4197

>  <Formula> (360)
C10H14N4O2

>  <MolWeight> (360)
222.24376

>  <Cat> (360)
S5836

>  <Name> (360)
IBMX

>  <Synonyms> (360)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (360)
PDE

>  <Form> (360)
Free Base

>  <CAS> (360)
28822-58-4

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

$$$$

csChFnd80/05132010362D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3950    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    3.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4027    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    4.1781    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    4.1949    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    5.5854    0.0000 Br  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  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (361)
4224

>  <Formula> (361)
C6H6Br6

>  <MolWeight> (361)
557.53584

>  <Cat> (361)
S5902

>  <Name> (361)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (361)
NSC7908

>  <Target> (361)
JAK

>  <Form> (361)
Free Base

>  <CAS> (361)
1837-91-8

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

$$$$

csChFnd80/05132010362D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    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
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 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
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (362)
4225

>  <Formula> (362)
C16H15N3O3

>  <MolWeight> (362)
297.3086

>  <Cat> (362)
S5903

>  <Name> (362)
JANEX-1

>  <Synonyms> (362)
WHI-P131

>  <Target> (362)
JAK

>  <Form> (362)
Free Base

>  <CAS> (362)
202475-60-3

>  <URL> (362)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/05132010362D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6557    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2075    0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262    2.8503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    8.3968    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (363)
4226

>  <Formula> (363)
C16H13Br2N3O3

>  <MolWeight> (363)
455.10072

>  <Cat> (363)
S5904

>  <Name> (363)
WHI-P97

>  <Synonyms> (363)
N/A

>  <Target> (363)
JAK

>  <Form> (363)
Free Base

>  <CAS> (363)
211555-05-4

>  <URL> (363)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/05132010362D

 18 20  0  0  0  0  0  0  0  0999 V2000
    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
    8.4870    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
    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
    8.4870    0.7000    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
    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 18  2  0  0  0  0
 10 11  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (364)
4235

>  <Formula> (364)
C15H12N2O

>  <MolWeight> (364)
236.26858

>  <Cat> (364)
S5915

>  <Name> (364)
OAC2

>  <Synonyms> (364)
N/A

>  <Target> (364)
Others

>  <Form> (364)
Free Base

>  <CAS> (364)
6019-39-2

>  <URL> (364)
http://www.selleckchem.com/products/oac2.html

$$$$

csChFnd80/05132010362D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    5.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0125    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1206    5.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5456    5.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3327    5.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    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
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (365)
4237

>  <Formula> (365)
C22H23N5O2

>  <MolWeight> (365)
389.45032

>  <Cat> (365)
S5917

>  <Name> (365)
Solcitinib

>  <Synonyms> (365)
GLPG0778, GSK2586184

>  <Target> (365)
JAK

>  <Form> (365)
Free Base

>  <CAS> (365)
1206163-45-2

>  <URL> (365)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/05132010362D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.0300    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    5.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    4.8615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6052    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    1.0781    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    3.3309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    2.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3047    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6349    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  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
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 11 15  1  0  0  0  0
  9 13  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (366)
4239

>  <Formula> (366)
C18H22ClN5S

>  <MolWeight> (366)
375.91878

>  <Cat> (366)
S5919

>  <Name> (366)
KHS101 hydrochloride

>  <Synonyms> (366)
N/A

>  <Target> (366)
Microtubule Associat

>  <Form> (366)
hydrochloride

>  <CAS> (366)
1784282-12-7

>  <URL> (366)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/05132010362D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
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4256

>  <Formula> (367)
C16H11Cl2FO2

>  <MolWeight> (367)
325.1617432

>  <Cat> (367)
S7323

>  <Name> (367)
CHF 5074

>  <Synonyms> (367)
N/A

>  <Target> (367)
Gamma-secretase

>  <Form> (367)
Free Base

>  <CAS> (367)
749269-83-8

>  <URL> (367)
http://www.selleckchem.com/products/chf-5074.html

$$$$

csChFnd80/05132010362D

 34 38  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (368)
4262

>  <Formula> (368)
C23H14ClF3N6O

>  <MolWeight> (368)
482.8450696

>  <Cat> (368)
S8560

>  <Name> (368)
Seletalisib (UCB-5857)

>  <Synonyms> (368)
N/A

>  <Target> (368)
PI3K

>  <Form> (368)
Free Base

>  <CAS> (368)
1362850-20-1

>  <URL> (368)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/05132010362D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
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 14  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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 19  7  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (369)
4276

>  <Formula> (369)
C17H20F3N7O2

>  <MolWeight> (369)
411.3816096

>  <Cat> (369)
S8738

>  <Name> (369)
Bimiralisib (PQR309)

>  <Synonyms> (369)
N/A

>  <Target> (369)
PI3K

>  <Form> (369)
Free Base

>  <CAS> (369)
1225037-39-7

>  <URL> (369)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/05132010362D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (370)
4282

>  <Formula> (370)
C21H25F3N6O2

>  <MolWeight> (370)
450.4574096

>  <Cat> (370)
S8752

>  <Name> (370)
leniolisib(CDZ 173)

>  <Synonyms> (370)
N/A

>  <Target> (370)
PI3K

>  <Form> (370)
Free Base

>  <CAS> (370)
1354690-24-6

>  <URL> (370)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/05132010362D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (371)
4287

>  <Formula> (371)
C29H24FN7O

>  <MolWeight> (371)
505.5455632

>  <Cat> (371)
S8761

>  <Name> (371)
Adavivint (SM04690)

>  <Synonyms> (371)
N/A

>  <Target> (371)
Wnt/beta-catenin

>  <Form> (371)
Free Base

>  <CAS> (371)
1467093-03-3

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

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/05132010362D

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M  END
>  <Mol_ID> (372)
4297

>  <Formula> (372)
C29H39NO9

>  <MolWeight> (372)
545.62126

>  <Cat> (372)
S9015

>  <Name> (372)
Homoharringtonine

>  <CAS> (372)
26833-87-4

$$$$
S9100 Fraxinellone.cdx
csChFnd80/05132010362D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (373)
4359

>  <Formula> (373)
C14H16O3

>  <MolWeight> (373)
232.27504

>  <Cat> (373)
S9100

>  <Name> (373)
Fraxinellone

>  <Form> (373)
free base

>  <CAS> (373)
28808-62-0

$$$$
S9102 Magnolin.cdx
csChFnd80/05132010362D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (374)
4361

>  <Formula> (374)
C23H28O7

>  <MolWeight> (374)
416.46422

>  <Cat> (374)
S9102

>  <Name> (374)
Magnolin

>  <CAS> (374)
31008-18-1

$$$$

csChFnd80/05132010362D

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C16H11N3O2

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Indirubin-3'-monoxime

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CDK

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Free Base

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160807-49-8

>  <URL> (375)
http://www.selleck.cn/products/indirubin-3-monoxime.html

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csChFnd80/05132010362D

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C19H21N3O2S

>  <MolWeight> (376)
355.45394

>  <Cat> (376)
S2070

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ISCK03

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N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (376)
c-Kit

>  <Form> (376)
Free Base

>  <CAS> (376)
945526-43-2

>  <URL> (376)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/05132010362D

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>  <Mol_ID> (377)
4505

>  <Formula> (377)
C19H18O8

>  <MolWeight> (377)
374.34142

>  <Cat> (377)
S9288

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Casticin

>  <Form> (377)
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>  <CAS> (377)
479-91-4

$$$$

csChFnd80/05132010362D

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C13H21N5O

>  <MolWeight> (378)
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>  <Cat> (378)
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Pinacidil 

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N/A

>  <Target> (378)
Others

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Free Base

>  <CAS> (378)
85371-64-8

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

$$$$

csChFnd80/05132010362D

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>  <Target> (379)
EGFR

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mesylate

>  <CAS> (379)
1421373-66-1

>  <URL> (379)
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$$$$

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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (380)
4830

>  <Formula> (380)
C17H13N3O2

>  <MolWeight> (380)
291.30402

>  <Cat> (380)
S5772

>  <Name> (380)
AS-8351

>  <Synonyms> (380)
N/A

>  <Target> (380)
Histone Demethylase

>  <Form> (380)
Free Base

>  <CAS> (380)
796-42-9

>  <URL> (380)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/05132010362D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (381)
4842

>  <Formula> (381)
C16H17BrN2S

>  <MolWeight> (381)
349.28858

>  <Cat> (381)
S5791

>  <Name> (381)
Cyclic Pifithrin-¦Á hydrobromide 

>  <Synonyms> (381)
N/A

>  <Target> (381)
p53

>  <Form> (381)
hydrobromide 

>  <CAS> (381)
511296-88-1

>  <URL> (381)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/05132010362D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  7  8  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 11  1  0  0  0  0
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 10 18  1  0  0  0  0
 21 22  2  0  0  0  0
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 25 26  2  0  0  0  0
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M  END
>  <Mol_ID> (382)
4860

>  <Formula> (382)
C18H19F3N2O4S2

>  <MolWeight> (382)
448.4796696

>  <Cat> (382)
S5815

>  <Name> (382)
WAY-316606

>  <Synonyms> (382)
N/A

>  <Target> (382)
Wnt/beta-catenin

>  <Form> (382)
Free Base

>  <CAS> (382)
915759-45-4

>  <URL> (382)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/05132010362D

 87 96  0  0  0  0  0  0  0  0999 V2000
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acalisib (GS-9820)

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870281-34-8

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csChFnd80/05132010362D

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csChFnd80/05132010362D

 33 35  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
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 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
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 18 12  1  0  0  0  0
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 28 14  2  0  0  0  0
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M  END
>  <Mol_ID> (392)
5339

>  <Formula> (392)
C23H26N6O2

>  <MolWeight> (392)
418.49154

>  <Cat> (392)
S6414

>  <Name> (392)
Apilimod

>  <Synonyms> (392)
STA-5326

>  <Target> (392)
PI3K

>  <Form> (392)
Free Base

>  <CAS> (392)
541550-19-0

>  <URL> (392)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/05132010362D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (393)
5404

>  <Formula> (393)
C19H18N4O3

>  <MolWeight> (393)
350.37122

>  <Cat> (393)
S8684

>  <Name> (393)
Selective JAK3 inhibitor 1

>  <Synonyms> (393)
N/A

>  <Target> (393)
JAK

>  <Form> (393)
Free Base

>  <CAS> (393)
1443235-95-7

>  <URL> (393)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/05132010362D

 32 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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
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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 22  7  2  0  0  0  0
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 31 26  1  0  0  0  0
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M  END
>  <Mol_ID> (394)
5405

>  <Formula> (394)
C23H20FN7O

>  <MolWeight> (394)
429.4496032

>  <Cat> (394)
S8693

>  <Name> (394)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (394)
N/A

>  <Target> (394)
PI3K

>  <Form> (394)
Free Base

>  <CAS> (394)
2088525-31-7

>  <URL> (394)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/05132010362D

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333745-53-2

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850717-64-5

>  <URL> (398)
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>  <Mol_ID> (400)
6704

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>  <Target> (400)
JAK

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21561-09-1

>  <URL> (400)
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csChFnd80/05132010362D

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  1  2  1  0  0  0  0
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  1  5  2  0  0  0  0
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 14 15  1  0  0  0  0
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C23H24N2O

>  <MolWeight> (401)
344.44946

>  <Cat> (401)
S6524

>  <Name> (401)
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>  <Synonyms> (401)
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>  <Target> (401)
JAK

>  <Form> (401)
free base

>  <CAS> (401)
195371-52-9

>  <URL> (401)
http://www.selleck.cn/products/nsc-42834.html

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csChFnd80/05132010362D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 10 13  1  0  0  0  0
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6714

>  <Formula> (402)
C16H14N2O2S2

>  <MolWeight> (402)
330.42456

>  <Cat> (402)
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>  <Synonyms> (402)
N/A

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free base

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329907-28-0

>  <URL> (402)
http://www.selleck.cn/products/ttp-22.html

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csChFnd80/05132010362D

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>  <Mol_ID> (403)
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>  <Formula> (403)
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>  <MolWeight> (403)
478.3268632

>  <Cat> (403)
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>  <Name> (403)
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>  <Synonyms> (403)
N/A

>  <Target> (403)
EGFR

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>  <CAS> (403)
1952236-05-3

>  <URL> (403)
http://www.selleck.cn/products/mtx-211.html

$$$$

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N/A

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Hedgehog/Smoothened

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free base

>  <CAS> (405)
315703-52-7

>  <URL> (405)
http://www.selleck.cn/products/jk184.html

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6728

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S6566

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>  <Synonyms> (406)
N/A

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Others

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1796596-46-7

>  <URL> (406)
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PI4K

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free base

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1513879-21-4

>  <URL> (407)
http://www.selleck.cn/products/bqr695.html

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>  <Cat> (408)
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1513879-19-0

>  <URL> (408)
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M  END
>  <Mol_ID> (409)
6737

>  <Formula> (409)
C16H16F3N5

>  <MolWeight> (409)
335.3269496

>  <Cat> (409)
S6578

>  <Name> (409)
Longdaysin

>  <Synonyms> (409)
N/A

>  <Target> (409)
Casein Kinase

>  <Form> (409)
free base

>  <CAS> (409)
1353867-91-0

>  <URL> (409)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/05132010362D

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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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 11  7  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (410)
6754

>  <Formula> (410)
C21H17N3O2S

>  <MolWeight> (410)
375.44358

>  <Cat> (410)
S8704

>  <Name> (410)
iCRT14

>  <Synonyms> (410)
N/A

>  <Target> (410)
Wnt/beta-catenin

>  <Form> (410)
free base

>  <CAS> (410)
677331-12-3

>  <URL> (410)
http://www.selleck.cn/products/icrt14.html

$$$$

csChFnd80/05132010362D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (411)
6769

>  <Formula> (411)
C22H25NO3

>  <MolWeight> (411)
351.4388

>  <Cat> (411)
S2933

>  <Name> (411)
AM580

>  <Synonyms> (411)
N/A

>  <Target> (411)
Retinoid Receptor

>  <Form> (411)
Free Base

>  <CAS> (411)
102121-60-8

>  <URL> (411)
http://www.selleck.cn/products/am580.html

$$$$

csChFnd80/05132010362D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (412)
6804

>  <Formula> (412)
C19H17N7O3

>  <MolWeight> (412)
391.38338

>  <Cat> (412)
S6616

>  <Name> (412)
ETC-159

>  <Synonyms> (412)
ETC-1922159

>  <Target> (412)
Wnt/beta-catenin

>  <Form> (412)
Free Base

>  <CAS> (412)
1638250-96-0

>  <URL> (412)
http://www.selleck.cn/products/etc-159.html

$$$$

csChFnd80/05132010362D

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M  END
>  <Mol_ID> (413)
6818

>  <Formula> (413)
C18H13ClF2N6O

>  <MolWeight> (413)
402.7852264

>  <Cat> (413)
S6636

>  <Name> (413)
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>  <Synonyms> (413)
N/A

>  <Target> (413)
ROCK

>  <Form> (413)
Free Base

>  <CAS> (413)
867017-68-3

>  <URL> (413)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/05132010362D

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Free Base

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950912-80-8

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http://www.selleck.cn/products/pf-670462.html

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1800070-77-2

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csChFnd80/05132010362D

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1315355-93-1

>  <URL> (418)
http://www.selleck.cn/products/ng25.html

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>  <Synonyms> (419)
N/A

>  <Target> (419)
TGF-beta/Smad

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>  <CAS> (419)
334951-90-5

>  <URL> (419)
http://www.selleck.cn/products/bibf-0775.html

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>  <Synonyms> (420)
N/A

>  <Target> (420)
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>  <Form> (420)
Free Base

>  <CAS> (420)
1188296-52-7

>  <URL> (420)
http://www.selleck.cn/products/pf-4800567.html

$$$$

csChFnd80/05132010362D

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N/A

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Free Base

>  <CAS> (421)
1629138-41-5

>  <URL> (421)
http://www.selleck.cn/products/sri-011381.html

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6931

>  <Formula> (422)
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444.8583664

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S6673

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>  <Synonyms> (422)
N/A

>  <Target> (422)
Rho

>  <Form> (422)
Free Base

>  <CAS> (422)
1922098-69-8

>  <URL> (422)
http://www.selleck.cn/products/ccg-222740.html

$$$$

csChFnd80/05132010362D

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6941

>  <Formula> (423)
C23H21N5O

>  <MolWeight> (423)
383.44574

>  <Cat> (423)
S8500

>  <Name> (423)
BAY1125976

>  <Synonyms> (423)
N/A

>  <Target> (423)
Akt

>  <Form> (423)
Free Base

>  <CAS> (423)
1402608-02-9

>  <URL> (423)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/05132010362D

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6951

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C33H40O18

>  <MolWeight> (424)
724.6599

>  <Cat> (424)
S9096

>  <Name> (424)
ligustroflavone

>  <Synonyms> (424)
Nuezhenoside

>  <Target> (424)
AMPK

>  <Form> (424)
Free Base

>  <CAS> (424)
260413-62-5

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

$$$$

csChFnd80/05132010362D

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>  <Mol_ID> (425)
6963

>  <Formula> (425)
C17H15NO3

>  <MolWeight> (425)
281.3059

>  <Cat> (425)
S2272

>  <Name> (425)
Indoprofen

>  <Synonyms> (425)
N/A

>  <Target> (425)
PDK

>  <Form> (425)
Free Base

>  <CAS> (425)
31842-01-0

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

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