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Proteasome

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179324-69-7

>  <URL> (1)
http://www.selleckchem.com/products/Bortezomib.html

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>  <Mol_ID> (2)
16

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Imatinib Mesylate (STI571)

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CGP-57148B, ST-1571 Mesylate

>  <Target> (2)
PDGFR, c-Kit, Bcr-Abl

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Mesylate

>  <CAS> (2)
220127-57-1

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

$$$$
untitled.cdx
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PD0325901

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N/A

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MEK 

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Free Base

>  <CAS> (3)
391210-10-9

>  <URL> (3)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
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DNA-PK, PI3K, mTOR

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371935-74-9

>  <URL> (4)
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$$$$
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M  END
>  <Mol_ID> (5)
27

>  <Formula> (5)
C51H79NO13

>  <MolWeight> (5)
914.17186

>  <Cat> (5)
S1039

>  <Name> (5)
Rapamycin (Sirolimus)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
mTOR 

>  <Form> (5)
Free Base

>  <CAS> (5)
53123-88-9

>  <URL> (5)
http://www.selleckchem.com/products/Rapamycin.html

$$$$
vorinostat.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (6)
31

>  <Formula> (6)
C14H20N2O3

>  <MolWeight> (6)
264.3202

>  <Cat> (6)
S1047

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

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

>  <Target> (6)
HDAC

>  <Form> (6)
Free Base

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

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

$$$$
Y-27632 2HCL.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (7)
33

>  <Formula> (7)
C14H23Cl2N3O

>  <MolWeight> (7)
320.25792

>  <Cat> (7)
S1049

>  <Name> (7)
Y-27632 2HCl

>  <Synonyms> (7)
N/A

>  <Target> (7)
ROCK

>  <Form> (7)
Dihydrochloride

>  <CAS> (7)
129830-38-2

>  <URL> (7)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/08142015502D

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PKC 

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170364-57-5

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

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>  <Mol_ID> (9)
41

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C23H27N7O3S2

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PI3K 

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957054-30-7

>  <URL> (9)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
untitled.cdx
csChFnd80/08142015502D

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>  <Formula> (10)
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TGF-beta/Smad

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301836-41-9

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http://www.selleckchem.com/products/SB-431542.html

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>  <Mol_ID> (11)
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475110-96-4

>  <URL> (11)
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$$$$
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280744-09-4

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p38 MAPK 

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152121-47-6

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

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>  <Target> (14)
p38 MAPK 

>  <Form> (14)
Free Base

>  <CAS> (14)
152121-30-7

>  <URL> (14)
http://www.selleckchem.com/products/SB-202190.html

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Hedgehog, P-gp

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879085-55-9

>  <URL> (15)
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PI3K 

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154447-36-6

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http://www.selleckchem.com/products/LY294002.html

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AT9283

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N/A

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Bcr-Abl, JAK, Aurora Kinase

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Free Base

>  <CAS> (17)
896466-04-9

>  <URL> (17)
http://www.selleckchem.com/products/AT9283.html

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>  <Mol_ID> (18)
84

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C31H43N3O8

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17-AAG (Tanespimycin)

>  <Synonyms> (18)
N/A 

>  <Target> (18)
HSP

>  <Form> (18)
Free Base

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

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

$$$$
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95

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C16H15NO7S

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NSC 74859 (S3I-201)

>  <Synonyms> (19)
N/A 

>  <Target> (19)
STAT

>  <Form> (19)
Free Base

>  <CAS> (19)
501919-59-1

>  <URL> (19)
http://www.selleckchem.com/products/S31-201.html

$$$$
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N/A

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PI3K

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Free Base

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663619-89-4

>  <URL> (20)
http://www.selleckchem.com/products/TGX-221.html

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167869-21-8

>  <URL> (21)
http://www.selleckchem.com/products/PD-98059.html

$$$$
XAV-939.cdx
csChFnd80/08142015502D

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Wnt/beta-catenin

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Free Base

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284028-89-3

>  <URL> (22)
http://www.selleckchem.com/products/XAV-939.html

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KU-0063794.cdx
csChFnd80/08142015502D

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Ku-0063794

>  <Synonyms> (23)
N/A

>  <Target> (23)
mTOR 

>  <Form> (23)
Free Base

>  <CAS> (23)
938440-64-3

>  <URL> (23)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (24)
137

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C28H28ClNO4S

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S1227

>  <Name> (24)
Evista (Raloxifene Hydrochloride)

>  <Synonyms> (24)
Raloxifene Hydrochloride, keoxifene

>  <Target> (24)
Estrogen/progestogen Receptor

>  <Form> (24)
Hydrochloride

>  <CAS> (24)
82640-04-8

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

$$$$
BMS-708163.cdx
csChFnd80/08142015502D

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156

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BMS-708163 (Avagacestat)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
Gamma-secretase

>  <Form> (25)
Free Base

>  <CAS> (25)
1146699-66-2

>  <URL> (25)
http://www.selleckchem.com/products/BMS-708163.html

$$$$
PD173074.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (26)
157

>  <Formula> (26)
C28H41N7O3

>  <MolWeight> (26)
523.67024

>  <Cat> (26)
S1264

>  <Name> (26)
PD173074

>  <Synonyms> (26)
N/A

>  <Target> (26)
FGFR, VEGFR

>  <Form> (26)
Free Base

>  <CAS> (26)
219580-11-7

>  <URL> (26)
http://www.selleckchem.com/products/PD-173074.html

$$$$
Nicotinamide.cdx
csChFnd80/08142015502D

  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> (27)
188

>  <Formula> (27)
C6H6N2O

>  <MolWeight> (27)
122.12464

>  <Cat> (27)
S1899

>  <Name> (27)
Nicotinamide (Vitamin B3)

>  <Synonyms> (27)
Niacinamide

>  <Target> (27)
Sirtuin

>  <Form> (27)
Free Base

>  <CAS> (27)
98-92-0

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

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (28)
221

>  <Formula> (28)
C17H19ClF3NO

>  <MolWeight> (28)
345.7870696

>  <Cat> (28)
S1333

>  <Name> (28)
Fluoxetine  HCl

>  <Synonyms> (28)
Prozac, Sarafem

>  <Target> (28)
5-HT Receptor

>  <Form> (28)
Hydrochloride

>  <CAS> (28)
56296-78-7

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

$$$$
Gatifloxacin.cdx
csChFnd80/08142015502D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 12  2  1  0  0  0  0
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M  END
>  <Mol_ID> (29)
223

>  <Formula> (29)
C19H22FN3O4

>  <MolWeight> (29)
375.3940832

>  <Cat> (29)
S1340

>  <Name> (29)
Gatifloxacin

>  <Synonyms> (29)
AM-1155, CG5501, BMS-206584

>  <Target> (29)
Topoisomerase

>  <Form> (29)
Free Base

>  <CAS> (29)
112811-59-3

>  <URL> (29)
http://www.selleckchem.com/products/Gatifloxacin.html

$$$$
TG100-115.cdx
csChFnd80/08142015502D

 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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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (30)
227

>  <Formula> (30)
C18H14N6O2

>  <MolWeight> (30)
346.34276

>  <Cat> (30)
S1352

>  <Name> (30)
TG100-115

>  <Synonyms> (30)
N/A

>  <Target> (30)
PI3K

>  <Form> (30)
Free Base

>  <CAS> (30)
677297-51-7

>  <URL> (30)
http://www.selleckchem.com/products/TG100-115.html

$$$$
ON-01910.cdx
csChFnd80/08142015502D

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Sodium Salt

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1225497-78-8

>  <URL> (31)
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resveratrol.cdx
csChFnd80/08142015502D

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501-36-0

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Rolipram.cdx
csChFnd80/08142015502D

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PDE

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61413-54-5

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

$$$$
Thiazovivin.cdx
csChFnd80/08142015502D

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ROCK

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1226056-71-8

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

$$$$
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129-56-6

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http://www.selleckchem.com/products/SP600125.html

$$$$
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32222-06-3

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GSK429286A

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ROCK 

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Free Base

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864082-47-3

>  <URL> (37)
http://www.selleckchem.com/products/GSK429286A.html

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SB 525334

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N/A

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TGF-beta/Smad

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Free Base

>  <CAS> (38)
356559-20-1

>  <URL> (38)
http://www.selleckchem.com/products/SB-525334.html

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307

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PIK-93

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N/A

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PI3K, VEGFR

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Free Base

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593960-11-3

>  <URL> (39)
http://www.selleckchem.com/products/PIK-93.html

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C10H12FN5O4

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Fludarabine (Fludara)

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STAT, DNA/RNA Synthesis

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21679-14-1

>  <URL> (40)
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csChFnd80/08142015502D

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>  <Mol_ID> (41)
318

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C31H29N5O6S

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XL765

>  <Synonyms> (41)
N/A 

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PI3K, mTOR

>  <Form> (41)
Free Base

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1349796-36-6

>  <URL> (41)
http://www.selleckchem.com/products/XL765(SAR245409).html#

$$$$
AT7519.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (42)
319

>  <Formula> (42)
C16H17Cl2N5O2

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382.24448

>  <Cat> (42)
S1524

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AT7519

>  <Synonyms> (42)
N/A

>  <Target> (42)
CDK 

>  <Form> (42)
Free Base

>  <CAS> (42)
844442-38-2

>  <URL> (42)
http://www.selleckchem.com/products/AT7519.html

$$$$
AT7867.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (43)
344

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C20H20ClN3

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337.8459

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S1558

>  <Name> (43)
AT7867

>  <Synonyms> (43)
N/A

>  <Target> (43)
Akt, S6 kinase

>  <Form> (43)
Free Base

>  <CAS> (43)
857531-00-1

>  <URL> (43)
http://www.selleckchem.com/products/AT7867.html

$$$$
Fasudil HCl.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (44)
352

>  <Formula> (44)
C14H18ClN3O2S

>  <MolWeight> (44)
327.82962

>  <Cat> (44)
S1573

>  <Name> (44)
Fasudil HCl (HA-1077)

>  <Synonyms> (44)
AT-877 

>  <Target> (44)
ROCK

>  <Form> (44)
Hydrochloride

>  <CAS> (44)
105628-07-7

>  <URL> (44)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (45)
353

>  <Formula> (45)
C31H37N5O3

>  <MolWeight> (45)
527.65718

>  <Cat> (45)
S1574

>  <Name> (45)
BIRB 796 (Doramapimod)

>  <Synonyms> (45)
N/A

>  <Target> (45)
p38 MAPK

>  <Form> (45)
Free Base

>  <CAS> (45)
285983-48-4

>  <URL> (45)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Semagacestat.cdx
csChFnd80/08142015502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (46)
358

>  <Formula> (46)
C19H27N3O4

>  <MolWeight> (46)
361.43538

>  <Cat> (46)
S1594

>  <Name> (46)
Semagacestat (LY450139)

>  <Synonyms> (46)
LY-450139, LY450139

>  <Target> (46)
Gamma-secretase

>  <Form> (46)
Free Base

>  <CAS> (46)
425386-60-3

>  <URL> (46)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/08142015502D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (47)
360

>  <Formula> (47)
C27H30Cl2F2N6O

>  <MolWeight> (47)
563.4695064

>  <Cat> (47)
S2686

>  <Name> (47)
NVP-BSK805 2HCl

>  <Synonyms> (47)
N/A

>  <Target> (47)
JAK

>  <Form> (47)
HCl

>  <CAS> (47)
1092499-93-8 (free base)

>  <URL> (47)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/08142015502D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (48)
368

>  <Formula> (48)
C29H35NO2

>  <MolWeight> (48)
429.5937

>  <Cat> (48)
S2606

>  <Name> (48)
Mifepristone (Mifeprex)

>  <Synonyms> (48)
RU-486, Mifegyne 

>  <Target> (48)
Estrogen/progestogen Receptor

>  <Form> (48)
Free Base

>  <CAS> (48)
84371-65-3

>  <URL> (48)
http://www.selleckchem.com/products/Mifepristone(Mifeprex).html

$$$$
Artesunate.cdx
csChFnd80/08142015502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   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> (49)
391

>  <Formula> (49)
C19H28O8

>  <MolWeight> (49)
384.42082

>  <Cat> (49)
S2265

>  <Name> (49)
Artesunate

>  <Synonyms> (49)
N/A

>  <Target> (49)
STAT

>  <Form> (49)
Free Base

>  <CAS> (49)
88495-63-0

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

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/08142015502D

 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
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   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> (50)
396

>  <Formula> (50)
C20H28O2

>  <MolWeight> (50)
300.43512

>  <Cat> (50)
S1653

>  <Name> (50)
All-trans Retinoic Acid (Tretinoin)

>  <Synonyms> (50)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (50)
Retinoid Receptor

>  <Form> (50)
Free Base

>  <CAS> (50)
302-79-4

>  <URL> (50)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/08142015502D

 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
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   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
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    5.6704    7.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
 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 18  1  0  0  0  0
 17 24  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (51)
434

>  <Formula> (51)
C19H16ClNO4

>  <MolWeight> (51)
357.78764

>  <Cat> (51)
S1723

>  <Name> (51)
Indomethacin (Indocid, Indocin)

>  <Synonyms> (51)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (51)
COX

>  <Form> (51)
Free Base

>  <CAS> (51)
53-86-1

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/08142015502D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
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  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
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 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> (52)
459

>  <Formula> (52)
C8H12N4O5

>  <MolWeight> (52)
244.20468

>  <Cat> (52)
S1782

>  <Name> (52)
Azacitidine (Vidaza)

>  <Synonyms> (52)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (52)
DNA/RNA Synthesis

>  <Form> (52)
Free Base

>  <CAS> (52)
320-67-2

>  <URL> (52)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
clemastine fumarate.cdx
csChFnd80/08142015502D

 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
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   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
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    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
    4.9487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 12  1  0  0  0  0
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  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 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> (53)
479

>  <Formula> (53)
C25H30ClNO5

>  <MolWeight> (53)
459.9624

>  <Cat> (53)
S1847

>  <Name> (53)
Clemastine Fumarate

>  <Synonyms> (53)
Tavist, Agasten 

>  <Target> (53)
Histamine Receptor

>  <Form> (53)
Fumarate

>  <CAS> (53)
14976-57-9

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

$$$$
Methylthiouracil.cdx
csChFnd80/08142015502D

  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
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    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
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  1  2  1  0  0  0  0
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  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> (54)
481

>  <Formula> (54)
C5H6N2OS

>  <MolWeight> (54)
142.17894

>  <Cat> (54)
S3138

>  <Name> (54)
Methylthiouracil

>  <Synonyms> (54)
N/A

>  <Target> (54)
Others

>  <Form> (54)
Free Base

>  <CAS> (54)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/08142015502D

 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> (55)
486

>  <Formula> (55)
C4H12ClN5

>  <MolWeight> (55)
165.62458

>  <Cat> (55)
S1950

>  <Name> (55)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (55)
Glucophage, Riomet, Diabex

>  <Target> (55)
Others

>  <Form> (55)
Hydrochloride

>  <CAS> (55)
1115-70-4

>  <URL> (55)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Miconazole nitrate.cdx
csChFnd80/08142015502D

 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
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    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
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   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
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 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> (56)
488

>  <Formula> (56)
C18H15Cl4N3O4

>  <MolWeight> (56)
479.1414

>  <Cat> (56)
S1956

>  <Name> (56)
Miconazole nitrate

>  <Synonyms> (56)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (56)
Antifection

>  <Form> (56)
Nitrate 

>  <CAS> (56)
22832-87-7

>  <URL> (56)
http://www.selleckchem.com/products/Miconazole-nitrate.html

$$$$
Tangeretin.cdx
csChFnd80/08142015502D

 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> (57)
507

>  <Formula> (57)
C20H20O7

>  <MolWeight> (57)
372.3686

>  <Cat> (57)
S2363

>  <Name> (57)
Tangeretin (Tangeritin)

>  <Synonyms> (57)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (57)
ROS

>  <Form> (57)
Free Base

>  <CAS> (57)
481-53-8

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

$$$$
Indirubin.cdx
csChFnd80/08142015502D

 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
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    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
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  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 11  1  0  0  0  0
 13 16  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (58)
527

>  <Formula> (58)
C16H10N2O2

>  <MolWeight> (58)
262.2628

>  <Cat> (58)
S2386

>  <Name> (58)
Indirubin

>  <Synonyms> (58)
N/A

>  <Target> (58)
GSK-3

>  <Form> (58)
Free Base

>  <CAS> (58)
479-41-4 

>  <URL> (58)
http://www.selleckchem.com/products/Indirubin.html

$$$$
CHIR-98014.cdx
csChFnd80/08142015502D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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252935-94-7

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TGF-beta/Smad

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Free Base

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452342-67-5

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http://www.selleckchem.com/products/gw788388.html

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NVP-BGT226

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PI3K, mTOR

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Maleate

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1245537-68-1

>  <URL> (61)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
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N/A

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PI3K 

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Free Base

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371942-69-7

>  <URL> (62)
http://www.selleckchem.com/products/ym201636.html

$$$$
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M  END
>  <Mol_ID> (63)
559

>  <Formula> (63)
C25H30ClI2NO3

>  <MolWeight> (63)
681.77254

>  <Cat> (63)
S1979

>  <Name> (63)
Amiodarone HCl

>  <Synonyms> (63)
N/A

>  <Target> (63)
Potassium Channel

>  <Form> (63)
Hydrochloride

>  <CAS> (63)
19774-82-4

>  <URL> (63)
http://www.selleckchem.com/products/amiodarone-hcl.html

$$$$
3-Methyladenine.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (64)
562

>  <Formula> (64)
C6H7N5

>  <MolWeight> (64)
149.15328

>  <Cat> (64)
S2767

>  <Name> (64)
3-Methyladenine (3-MA)

>  <Synonyms> (64)
3-MA

>  <Target> (64)
PI3K

>  <Form> (64)
Free Base

>  <CAS> (64)
5142-23-4

>  <URL> (64)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
RG108.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (65)
570

>  <Formula> (65)
C19H14N2O4

>  <MolWeight> (65)
334.32546

>  <Cat> (65)
S2821

>  <Name> (65)
RG108

>  <Synonyms> (65)
N/A 

>  <Target> (65)
Transferases

>  <Form> (65)
Free Base

>  <CAS> (65)
48208-26-0

>  <URL> (65)
http://www.selleckchem.com/products/rg108.html

$$$$
CUDC-907.cdx
csChFnd80/08142015502D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (66)
573

>  <Formula> (66)
C23H24N8O4S

>  <MolWeight> (66)
508.55286

>  <Cat> (66)
S2759

>  <Name> (66)
CUDC-907

>  <Synonyms> (66)
N/A

>  <Target> (66)
HDAC, PI3K

>  <Form> (66)
Free Base

>  <CAS> (66)
1339928-25-4

>  <URL> (66)
http://www.selleckchem.com/products/cudc-907.html

$$$$
SB505124.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (67)
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JAK

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1257704-57-6

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http://www.selleckchem.com/products/cep33779.html

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HDAC

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112522-64-2

>  <URL> (73)
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117-39-5

>  <URL> (74)
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956697-53-3

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486-35-1

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900185-01-5 

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Gamma-secretase, Beta Amyloid

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208255-80-5

>  <URL> (79)
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  1  2  1  0  0  0  0
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  4  7  2  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (80)
714

>  <Formula> (80)
C19H20O3

>  <MolWeight> (80)
296.3603

>  <Cat> (80)
S2285

>  <Name> (80)
Cryptotanshinone

>  <Synonyms> (80)
N/A

>  <Target> (80)
STAT

>  <Form> (80)
Free Base

>  <CAS> (80)
35825-57-1

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

$$$$
Emodin.cdx
csChFnd80/08142015502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    1.3976    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  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
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 10  2  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14  5  1  0  0  0  0
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  6 17  2  0  0  0  0
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 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (81)
720

>  <Formula> (81)
C15H10O5

>  <MolWeight> (81)
270.2369

>  <Cat> (81)
S2295

>  <Name> (81)
Emodin

>  <Synonyms> (81)
N/A

>  <Target> (81)
Dehydrogenase

>  <Form> (81)
Free Base

>  <CAS> (81)
518-82-1

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

$$$$
Hesperetin.cdx
csChFnd80/08142015502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
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  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (82)
731

>  <Formula> (82)
C16H14O6

>  <MolWeight> (82)
302.27876

>  <Cat> (82)
S2308

>  <Name> (82)
Hesperetin

>  <Synonyms> (82)
N/A

>  <Target> (82)
Histamine Receptor

>  <Form> (82)
Free Base

>  <CAS> (82)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/08142015502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  1 13  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (83)
733

>  <Formula> (83)
C18H18O2

>  <MolWeight> (83)
266.33432

>  <Cat> (83)
S2310

>  <Name> (83)
Honokiol

>  <Synonyms> (83)
N/A

>  <Target> (83)
Akt, MEK

>  <Form> (83)
Free Base

>  <CAS> (83)
35354-74-6

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

$$$$
Myricitrin.cdx
csChFnd80/08142015502D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (84)
746

>  <Formula> (84)
C21H20O12

>  <MolWeight> (84)
464.3763

>  <Cat> (84)
S2327

>  <Name> (84)
Myricitrin (Myricitrine)

>  <Synonyms> (84)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (84)
PKC

>  <Form> (84)
Free Base

>  <CAS> (84)
17912-87-7

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/08142015502D

 24 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (85)
762

>  <Formula> (85)
C15H14O9

>  <MolWeight> (85)
338.26626

>  <Cat> (85)
S2347

>  <Name> (85)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (85)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (85)
Others

>  <Form> (85)
Dihydrate

>  <CAS> (85)
6151-25-3

>  <URL> (85)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Curcumol.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (86)
772

>  <Formula> (86)
C15H24O2

>  <MolWeight> (86)
236.34986

>  <Cat> (86)
S2407

>  <Name> (86)
Curcumol

>  <Synonyms> (86)
N/A

>  <Target> (86)
JAK

>  <Form> (86)
Free Base

>  <CAS> (86)
4871-97-0

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

$$$$
LY 411575.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (87)
794

>  <Formula> (87)
C26H23F2N3O4

>  <MolWeight> (87)
479.4753264

>  <Cat> (87)
S2714

>  <Name> (87)
LY411575

>  <Synonyms> (87)
N/A 

>  <Target> (87)
Gamma-secretase

>  <Form> (87)
Free Base

>  <CAS> (87)
209984-57-6

>  <URL> (87)
http://www.selleckchem.com/products/ly-411575.html

$$$$
TG1012009.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (88)
797

>  <Formula> (88)
C26H35N7O2S

>  <MolWeight> (88)
509.6668

>  <Cat> (88)
S2692

>  <Name> (88)
TG101209

>  <Synonyms> (88)
N/A

>  <Target> (88)
Flt, JAK, c-RET

>  <Form> (88)
Free Base

>  <CAS> (88)
936091-14-4

>  <URL> (88)
http://www.selleckchem.com/products/tg101209.html

$$$$
GSK2126458.cdx
csChFnd80/08142015502D

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1086062-66-9 

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843

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C22H18FN7O

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415.4230232

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CAL-101 (GS-1101)

>  <Synonyms> (90)
CAL101

>  <Target> (90)
PI3K 

>  <Form> (90)
Free Base

>  <CAS> (90)
870281-82-6

>  <URL> (90)
http://www.selleckchem.com/products/CAL-101.html

$$$$
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>  <Synonyms> (91)
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>  <Target> (91)
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>  <Form> (91)
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>  <CAS> (91)
900185-02-6

>  <URL> (91)
http://www.selleckchem.com/products/PIK-294.html

$$$$
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>  <Target> (92)
PPAR

>  <Form> (92)
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>  <CAS> (92)
122320-73-4

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

$$$$
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1009820-21-6

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1166227-08-2 

>  <URL> (96)
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>  <Mol_ID> (103)
902

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C18H14N4O2

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N/A

>  <Target> (103)
GSK-3

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Free Base

>  <CAS> (103)
601514-19-6

>  <URL> (103)
http://www.selleckchem.com/products/TWS119.html

$$$$
937174-76-0.cdx
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>  <Mol_ID> (104)
904

>  <Formula> (104)
C21H27N7O3

>  <MolWeight> (104)
425.48418

>  <Cat> (104)
S1113

>  <Name> (104)
GSK690693

>  <Synonyms> (104)
N/A

>  <Target> (104)
Akt

>  <Form> (104)
Free Base

>  <CAS> (104)
937174-76-0

>  <URL> (104)
http://www.selleckchem.com/products/GSK690693.html

$$$$
ICG001.cdx
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>  <Mol_ID> (105)
914

>  <Formula> (105)
C33H32N4O4

>  <MolWeight> (105)
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>  <Cat> (105)
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ICG-001

>  <Synonyms> (105)
N/A

>  <Target> (105)
Wnt/beta-catenin

>  <Form> (105)
Free Base

>  <CAS> (105)
780757-88-2

>  <URL> (105)
http://www.selleckchem.com/products/icg-001.html

$$$$
Geldanamycin.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (106)
922

>  <Formula> (106)
C29H40N2O9

>  <MolWeight> (106)
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>  <Cat> (106)
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>  <Name> (106)
Geldanamycin

>  <Synonyms> (106)
N/A

>  <Target> (106)
HSP

>  <Form> (106)
Free Base

>  <CAS> (106)
30562-34-6

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

$$$$
YO 01027.cdx
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209984-56-5

>  <URL> (107)
http://www.selleckchem.com/products/yo-01027.html

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N/A

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JAK 

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Free Base

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936091-26-8

>  <URL> (108)
http://www.selleckchem.com/products/tg-101348.html

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PI3K, mTOR

>  <Form> (109)
Free Base

>  <CAS> (109)
1007207-67-1

>  <URL> (109)
http://www.selleckchem.com/products/ch5132799.html

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1013101-36-4 

>  <URL> (112)
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1194044-20-6

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>  <Mol_ID> (116)
1062

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C22H24N4O4

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408.45036

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S1462

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AZD6482

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PI3K

>  <Form> (116)
Free Base

>  <CAS> (116)
1173900-33-8

>  <URL> (116)
http://www.selleckchem.com/products/azd6482.html

$$$$
Tideglusib.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (117)
1068

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C19H14N2O2S

>  <MolWeight> (117)
334.39166

>  <Cat> (117)
S2823

>  <Name> (117)
Tideglusib

>  <Synonyms> (117)
N/A 

>  <Target> (117)
GSK-3

>  <Form> (117)
Free Base

>  <CAS> (117)
865854-05-3 

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

$$$$
Ascorbic acid.cdx
csChFnd80/08142015502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
1070

>  <Formula> (118)
C6H8O6

>  <MolWeight> (118)
176.12412

>  <Cat> (118)
S3114

>  <Name> (118)
Vitamin C (Ascorbic acid)

>  <Synonyms> (118)
N/A 

>  <Target> (118)
Vitamin

>  <Form> (118)
Free Base

>  <CAS> (118)
50-81-7

>  <URL> (118)
http://www.selleckchem.com/products/vitamin-c-ascorbic-acid.html

$$$$
StemRegenin 1.cdx
csChFnd80/08142015502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (119)
1082

>  <Formula> (119)
C24H23N5OS

>  <MolWeight> (119)
429.53732

>  <Cat> (119)
S2858

>  <Name> (119)
StemRegenin 1

>  <Synonyms> (119)
N/A 

>  <Target> (119)
AhR

>  <Form> (119)
Free Base

>  <CAS> (119)
1227633-49-9

>  <URL> (119)
http://www.selleckchem.com/products/stemRegenin-1.html

$$$$
WHI-P154.cdx
csChFnd80/08142015502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (120)
1090

>  <Formula> (120)
C16H14BrN3O3

>  <MolWeight> (120)
376.20466

>  <Cat> (120)
S2867

>  <Name> (120)
WHI-P154

>  <Synonyms> (120)
N/A

>  <Target> (120)
JAK, EGFR

>  <Form> (120)
Free Base

>  <CAS> (120)
211555-04-3

>  <URL> (120)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Forskolin.cdx
csChFnd80/08142015502D

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C22H34O7

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Forskolin

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Coleonol

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cAMP

>  <Form> (121)
Free Base

>  <CAS> (121)
66575-29-9

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

$$$$
Pirfenidone.cdx
csChFnd80/08142015502D

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C12H11NO

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185.22184

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S2907

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Pirfenidone

>  <Synonyms> (122)
N/A

>  <Target> (122)
TGF-beta/Smad

>  <Form> (122)
Free Base

>  <CAS> (122)
53179-13-8

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

$$$$
BI-D1870.cdx
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>  <Mol_ID> (123)
1130

>  <Formula> (123)
C19H23F2N5O2

>  <MolWeight> (123)
391.4150264

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S2843

>  <Name> (123)
BI-D1870

>  <Synonyms> (123)
N/A

>  <Target> (123)
S6 Kinase

>  <Form> (123)
Free Base

>  <CAS> (123)
501437-28-1

>  <URL> (123)
http://www.selleckchem.com/products/bi-d1870.html

$$$$
Go 6983.cdx
csChFnd80/08142015502D

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C26H26N4O3

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Go 6983

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N/A

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PKC

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Free Base

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133053-19-7

>  <URL> (124)
http://www.selleckchem.com/products/go-6983.html

$$$$
WZ 811.cdx
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>  <Mol_ID> (125)
1161

>  <Formula> (125)
C18H18N4

>  <MolWeight> (125)
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WZ 811

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N/A

>  <Target> (125)
CXCR

>  <Form> (125)
Free Base

>  <CAS> (125)
55778-02-4

>  <URL> (125)
http://www.selleckchem.com/products/wz-811.html

$$$$
TDZD-8.cdx
csChFnd80/08142015502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (126)
1167

>  <Formula> (126)
C10H10N2O2S

>  <MolWeight> (126)
222.2636

>  <Cat> (126)
S2926

>  <Name> (126)
TDZD-8

>  <Synonyms> (126)
N/A

>  <Target> (126)
GSK-3

>  <Form> (126)
Free Base

>  <CAS> (126)
327036-89-5 

>  <URL> (126)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
H-89.cdx
csChFnd80/08142015502D

 29 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1681    3.0529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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 26 21  1  0  0  0  0
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M  END
>  <Mol_ID> (127)
1172

>  <Formula> (127)
C20H22BrCl2N3O2S

>  <MolWeight> (127)
519.28258

>  <Cat> (127)
S1582

>  <Name> (127)
H 89 2HCl

>  <Synonyms> (127)
N/A

>  <Target> (127)
S6 Kinase

>  <Form> (127)
Dihydrochloride

>  <CAS> (127)
130964-39-5

>  <URL> (127)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Bexarotene.cdx
csChFnd80/08142015502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 10  2  1  0  0  0  0
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 13  4  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
  7 18  1  0  0  0  0
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 10 20  1  0  0  0  0
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 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (128)
1211

>  <Formula> (128)
C24H28O2

>  <MolWeight> (128)
348.47792

>  <Cat> (128)
S2098

>  <Name> (128)
Bexarotene

>  <Synonyms> (128)
N/A

>  <Target> (128)
Retinoid Receptor

>  <Form> (128)
Free Base

>  <CAS> (128)
153559-49-0

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

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/08142015502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    8.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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 11  4  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 27 28  2  0  0  0  0
 28  1  1  0  0  0  0
M  END
>  <Mol_ID> (129)
1240

>  <Formula> (129)
C18H14N4O5S

>  <MolWeight> (129)
398.39256

>  <Cat> (129)
S1576

>  <Name> (129)
Sulfasalazine (Azulfidine)

>  <Synonyms> (129)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (129)
COX,NF-¦ÊB

>  <Form> (129)
Free Base

>  <CAS> (129)
599-79-1

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

$$$$
Pifithrin-¦Á.cdx
csChFnd80/08142015502D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.2326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (130)
1245

>  <Formula> (130)
C16H19BrN2OS

>  <MolWeight> (130)
367.30386

>  <Cat> (130)
S2929

>  <Name> (130)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (130)
N/A

>  <Target> (130)
p53

>  <Form> (130)
HBr

>  <CAS> (130)
63208-82-2

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

$$$$
aicar.cdx
csChFnd80/08142015502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.8045    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (131)
1256

>  <Formula> (131)
C9H14N4O5

>  <MolWeight> (131)
258.23126

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S1802

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AICAR (Acadesine)

>  <Synonyms> (131)
AICAR, AICA-riboside

>  <Target> (131)
AMPK

>  <Form> (131)
Free Base

>  <CAS> (131)
2627-69-2

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

$$$$
nifuroxazide.cdx
csChFnd80/08142015502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (132)
1368

>  <Formula> (132)
C12H9N3O5

>  <MolWeight> (132)
275.21696

>  <Cat> (132)
S4182

>  <Name> (132)
Nifuroxazide

>  <Synonyms> (132)
N/A

>  <Target> (132)
STAT

>  <Form> (132)
Free Base

>  <CAS> (132)
965-52-6

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

$$$$
Halcinonide.cdx
csChFnd80/08142015502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (133)
1408

>  <Formula> (133)
C24H32ClFO5

>  <MolWeight> (133)
454.9592832

>  <Cat> (133)
S4098

>  <Name> (133)
Halcinonide

>  <Synonyms> (133)
N/A

>  <Target> (133)
Immunology & Inflammation related

>  <Form> (133)
Free Base

>  <CAS> (133)
3093-35-4

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

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/08142015502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
1465

>  <Formula> (134)
C8H7NO2S

>  <MolWeight> (134)
181.21168

>  <Cat> (134)
S2930

>  <Name> (134)
Pifithrin-¦Ì

>  <Synonyms> (134)
NSC 303580, PFT¦Ì

>  <Target> (134)
p53

>  <Form> (134)
Free Base

>  <CAS> (134)
64984-31-2

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

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (135)
1467

>  <Formula> (135)
C15H13FO2

>  <MolWeight> (135)
244.2609232

>  <Cat> (135)
S1679

>  <Name> (135)
Flurbiprofen

>  <Synonyms> (135)
Urbifen, Ansaid, Flurwood, Froben

>  <Target> (135)
COX

>  <Form> (135)
Free Base

>  <CAS> (135)
51543-39-6

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

$$$$
TTNPB.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (136)
1495

>  <Formula> (136)
C24H28O2

>  <MolWeight> (136)
348.47792

>  <Cat> (136)
S4627

>  <Name> (136)
TTNPB

>  <Synonyms> (136)
Ro 13-7410

>  <Target> (136)
Retinoid Receptor

>  <Form> (136)
Free Base

>  <CAS> (136)
71441-28-6

>  <URL> (136)
http://www.selleckchem.com/products/ttnpb-arotinoid-acid.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (137)
1534

>  <Formula> (137)
C44H69NO12

>  <MolWeight> (137)
804.01816

>  <Cat> (137)
S5003

>  <Name> (137)
Tacrolimus (FK506)

>  <Synonyms> (137)
FR900506

>  <Target> (137)
mTOR

>  <Form> (137)
Free Base

>  <CAS> (137)
104987-11-3

>  <URL> (137)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (138)
1689

>  <Formula> (138)
C14H23ClN2O

>  <MolWeight> (138)
270.79822

>  <Cat> (138)
S4667

>  <Name> (138)
Lidocaine hydrochloride

>  <Synonyms> (138)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (138)
Others

>  <Form> (138)
hydrochloride

>  <CAS> (138)
73-78-9

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

$$$$
S4747 Jervine.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (139)
1726

>  <Formula> (139)
C27H39NO3

>  <MolWeight> (139)
425.60346

>  <Cat> (139)
S4747

>  <Name> (139)
Jervine

>  <Synonyms> (139)
11-Ketocyclopamine

>  <Target> (139)
Hedgehog/Smoothened

>  <Form> (139)
Free Base

>  <CAS> (139)
469-59-0

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

$$$$
S4743 Wogonin.cdx
csChFnd80/08142015502D

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    7.2682    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4841    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 11 14  1  0  0  0  0
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 13 16  1  0  0  0  0
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 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> (140)
1733

>  <Formula> (140)
C16H12O5

>  <MolWeight> (140)
284.26348

>  <Cat> (140)
S4743

>  <Name> (140)
Wogonin

>  <Synonyms> (140)
Vogonin

>  <Target> (140)
CDK

>  <Form> (140)
Free Base

>  <CAS> (140)
632-85-9

>  <URL> (140)
http://www.selleckchem.com/products/wogonin.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/08142015502D

 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
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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   10.8656    9.7498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9012    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9462    9.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4766    3.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9497    3.0665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6139    1.7110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9367    4.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3266    2.2843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9817    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   13.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9405   11.5905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9202    9.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2725    8.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    7.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091    6.6018    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  1  0  0  0
  1  5  1  0  0  0  0
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  2  7  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  5 11  1  0  0  0  0
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  8 12  1  0  0  0  0
 16  9  1  1  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  6  0  0  0
 13 19  1  0  0  0  0
 14 20  1  6  0  0  0
 16 21  1  0  0  0  0
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 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 19 23  1  0  0  0  0
 21 26  1  0  0  0  0
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 22 28  1  6  0  0  0
 23 29  1  0  0  0  0
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 24 30  1  0  0  0  0
 26 31  1  1  0  0  0
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 29 35  1  0  0  0  0
 29 36  1  1  0  0  0
 30 34  1  0  0  0  0
 31 37  1  0  0  0  0
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 34 67  1  6  0  0  0
 35 40  1  0  0  0  0
 41 37  1  1  0  0  0
 39 42  1  0  0  0  0
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 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  6  0  0  0
 48 51  1  0  0  0  0
 48 52  1  1  0  0  0
 49 53  1  1  0  0  0
 49 51  1  0  0  0  0
 51 54  1  6  0  0  0
 55 54  1  1  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 59  1  6  0  0  0
 57 60  1  0  0  0  0
 58 61  1  0  0  0  0
 58 62  1  6  0  0  0
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 60 61  1  0  0  0  0
 61 64  1  1  0  0  0
 39 68  1  6  0  0  0
 68 69  1  0  0  0  0
 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (141)
1763

>  <Formula> (141)
C48H78O19

>  <MolWeight> (141)
959.12152

>  <Cat> (141)
S3616

>  <Name> (141)
Asiaticoside

>  <Synonyms> (141)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (141)
Others

>  <Form> (141)
free base

>  <CAS> (141)
16830-15-2

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/08142015502D

 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
    6.0326    4.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (142)
1772

>  <Formula> (142)
C9H10O4

>  <MolWeight> (142)
182.1733

>  <Cat> (142)
S3630

>  <Name> (142)
Methyl Vanillate

>  <Synonyms> (142)
N/A

>  <Target> (142)
Wnt/¦Â-Catenin

>  <Form> (142)
free base

>  <CAS> (142)
3943-74-6

>  <URL> (142)
http://www.selleckchem.com/products/methyl-vanillate.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/08142015502D

 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
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    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
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (143)
1788

>  <Formula> (143)
C11H8O3

>  <MolWeight> (143)
188.17942

>  <Cat> (143)
S3661

>  <Name> (143)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (143)
N/A

>  <Target> (143)
PKC

>  <Form> (143)
free base

>  <CAS> (143)
2348-82-5

>  <URL> (143)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/08142015502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (144)
1878

>  <Formula> (144)
C16H16O4

>  <MolWeight> (144)
272.29584

>  <Cat> (144)
S3940

>  <Name> (144)
3'-Hydroxypterostilbene

>  <Synonyms> (144)
3'-HPT

>  <Target> (144)
Others

>  <Form> (144)
free base

>  <CAS> (144)
475231-21-1

>  <URL> (144)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/08142015502D

 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
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (145)
1892

>  <Formula> (145)
C19H20O5

>  <MolWeight> (145)
328.3591

>  <Cat> (145)
S3819

>  <Name> (145)
Decursinol angelate

>  <Synonyms> (145)
N/A

>  <Target> (145)
PKC

>  <Form> (145)
free base

>  <CAS> (145)
130848-06-5

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

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/08142015502D

 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
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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
    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> (146)
1909

>  <Formula> (146)
C21H20O12

>  <MolWeight> (146)
464.3763

>  <Cat> (146)
S3842

>  <Name> (146)
Isoquercitrin

>  <Synonyms> (146)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (146)
Wnt/¦Â-catenin

>  <Form> (146)
free base

>  <CAS> (146)
482-35-9

>  <URL> (146)
http://www.selleckchem.com/products/isoquercitrin.html

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/08142015502D

 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
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    5.7373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1024    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0213    4.2644    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  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> (147)
1922

>  <Formula> (147)
C19H24ClNO4

>  <MolWeight> (147)
365.85116

>  <Cat> (147)
S3758

>  <Name> (147)
Sinomenine hydrochloride

>  <Synonyms> (147)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (147)
Immunology & Inflammation

>  <Form> (147)
hydrochloride

>  <CAS> (147)
6080-33-7

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

$$$$
S3783 Echinacoside.cdx
csChFnd80/08142015502D

 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
    8.3657    7.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   10.4954    3.6771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4391   10.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    8.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3709    9.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9767    7.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8070    2.4312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9113    3.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7314   12.1724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5697    9.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6781    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788    1.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4070    2.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6101    2.4449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3857   13.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366   12.1269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    7.6351   10.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    8.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   10.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7795    9.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790   14.5334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3646   15.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2201   13.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1807    9.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1055   10.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804   15.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6617   17.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634    7.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8912   10.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7824   12.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1782   12.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2912   10.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8796   13.3704    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  6  0  0  0
  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (148)
1927

>  <Formula> (148)
C35H46O20

>  <MolWeight> (148)
786.72774

>  <Cat> (148)
S3783

>  <Name> (148)
Echinacoside

>  <Synonyms> (148)
N/A

>  <Target> (148)
Others

>  <Form> (148)
free base

>  <CAS> (148)
82854-37-3

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

$$$$
S3787 Picroside I.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (149)
1930

>  <Formula> (149)
C24H28O11

>  <MolWeight> (149)
492.47252

>  <Cat> (149)
S3787

>  <Name> (149)
Picroside I

>  <Synonyms> (149)
6'-Cinnamoylcatalpol

>  <Target> (149)
Antifection

>  <Form> (149)
free base

>  <CAS> (149)
27409-30-9

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/08142015502D

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   10.9007    8.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 25  1  1  0  0  0
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 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
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 41 48  1  0  0  0  0
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 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (150)
1980

>  <Formula> (150)
C41H68O14

>  <MolWeight> (150)
784.97022

>  <Cat> (150)
S3901

>  <Name> (150)
Astragaloside IV

>  <Synonyms> (150)
AST-IV, AS-IV

>  <Target> (150)
Others

>  <Form> (150)
free base

>  <CAS> (150)
84687-43-4

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

$$$$
LY2109761.cdx
csChFnd80/08142015502D

 33 38  0  0  0  0  0  0  0  0999 V2000
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700874-71-1 

>  <URL> (151)
http://www.selleckchem.com/products/ly2109761.html

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Capmatinib (INCB28060)

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N/A

>  <Target> (152)
c-Met 

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Free Base

>  <CAS> (152)
1029712-80-8

>  <URL> (152)
http://www.selleckchem.com/products/incb28060.html

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AMD3100 

>  <Target> (153)
CXCR

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Octahydrochloride 

>  <CAS> (153)
155148-31-5

>  <URL> (153)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

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>  <Mol_ID> (154)
2006

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>  <Target> (154)
TGF-beta/Smad

>  <Form> (154)
Free Base

>  <CAS> (154)
396129-53-6

>  <URL> (154)
http://www.selleckchem.com/products/ly364947.html

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PI3K

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Free Base

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925705-73-3

>  <URL> (155)
http://www.selleckchem.com/products/tg-100713.html

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KY02111

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N/A

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Wnt/beta-catenin

>  <Form> (156)
Free Base

>  <CAS> (156)
1118807-13-8

>  <URL> (156)
https://www.selleckchem.com/products/ky02111.html

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EPZ004777

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N/A

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Histone Methyltransferase

>  <Form> (157)
Free Base

>  <CAS> (157)
1338466-77-5

>  <URL> (157)
https://www.selleckchem.com/products/epz004777.html

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PP1

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Src

>  <Form> (158)
Free Base

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172889-26-8

>  <URL> (158)
http://www.selleckchem.com/products/pp1.html

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304909-07-7

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M  END
>  <Mol_ID> (160)
2048

>  <Formula> (160)
C16H14N4O2S

>  <MolWeight> (160)
326.37296

>  <Cat> (160)
S7195

>  <Name> (160)
RKI-1447

>  <Synonyms> (160)
N/A

>  <Target> (160)
ROCK

>  <Form> (160)
Free Base

>  <CAS> (160)
1342278-01-6

>  <URL> (160)
http://www.selleckchem.com/products/rki-1447.html

$$$$
S3868 Harmine.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (161)
2069

>  <Formula> (161)
C13H12N2O

>  <MolWeight> (161)
212.24718

>  <Cat> (161)
S3868

>  <Name> (161)
Harmine

>  <Synonyms> (161)
telepathine

>  <Target> (161)
PPAR¦Ã,MAO-A

>  <Form> (161)
free base

>  <CAS> (161)
442-51-3

>  <URL> (161)
http://www.selleckchem.com/products/harmine.html

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/08142015502D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
2107

>  <Formula> (162)
C6H6N2O2

>  <MolWeight> (162)
138.12404

>  <Cat> (162)
S4785

>  <Name> (162)
Nicotinamide N-oxide

>  <Synonyms> (162)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (162)
Others

>  <Form> (162)
free base

>  <CAS> (162)
1986-81-8

>  <URL> (162)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/08142015502D

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    4.8625    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (163)
2128

>  <Formula> (163)
C15H12O2

>  <MolWeight> (163)
224.25458

>  <Cat> (163)
S4763

>  <Name> (163)
4-Hydroxychalcone

>  <Synonyms> (163)
P-Cinnamoylphenol

>  <Target> (163)
Others

>  <Form> (163)
free base

>  <CAS> (163)
20426-12-4

>  <URL> (163)
http://www.selleckchem.com/products/4-hydroxychalcone.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/08142015502D

122132  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
2136

>  <Formula> (164)
C76H52O46

>  <MolWeight> (164)
1701.19848

>  <Cat> (164)
S3951

>  <Name> (164)
Tannic acid

>  <Synonyms> (164)
Gallotannic acid

>  <Target> (164)
CXCR4 

>  <Form> (164)
free base

>  <CAS> (164)
1401-55-4

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

$$$$
S4990 TBHQ.cdx
csChFnd80/08142015502D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    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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  1  5  1  0  0  0  0
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M  END
>  <Mol_ID> (165)
2181

>  <Formula> (165)
C10H14O2

>  <MolWeight> (165)
166.21696

>  <Cat> (165)
S4990

>  <Name> (165)
TBHQ

>  <Synonyms> (165)
Tert-butylhydroquinone

>  <Target> (165)
Nrf2

>  <Form> (165)
free base

>  <CAS> (165)
1948-33-0

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/08142015502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (166)
2213

>  <Formula> (166)
C18H16O7

>  <MolWeight> (166)
344.31544

>  <Cat> (166)
S4953

>  <Name> (166)
Usnic acid

>  <Synonyms> (166)
Usniacin

>  <Target> (166)
Others

>  <Form> (166)
free base

>  <CAS> (166)
125-46-2

>  <URL> (166)
http://selleckchem.com/products/usnic-acid.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/08142015502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.6046    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4268    1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6032    0.2658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2720    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8480    2.1008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (167)
2231

>  <Formula> (167)
C10H13N5O

>  <MolWeight> (167)
219.24312

>  <Cat> (167)
S4884

>  <Name> (167)
Trans-Zeatin

>  <Synonyms> (167)
(E)-Zeatin

>  <Target> (167)
Others

>  <CAS> (167)
1637-39-4

>  <URL> (167)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/08142015502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2689    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    3.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5114    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4818    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7280    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    3.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9281    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    3.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (168)
2263

>  <Formula> (168)
C15H12O2

>  <MolWeight> (168)
224.25458

>  <Cat> (168)
S4937

>  <Name> (168)
4'-Hydroxychalcone

>  <Synonyms> (168)
P-Cinnamoylphenol

>  <Target> (168)
Others

>  <Form> (168)
free base

>  <CAS> (168)
2657-25-2

>  <URL> (168)
http://selleckchem.com/products/hydroxychalcone.html

$$$$
Sodium valproate.cdx
csChFnd80/08142015502D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  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> (169)
2268

>  <Formula> (169)
C8H15NaO2

>  <MolWeight> (169)
166.19327

>  <Cat> (169)
S1168

>  <Name> (169)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (169)
N/A 

>  <Target> (169)
GABA Receptor, HDAC

>  <CAS> (169)
1069-66-5, 99-66-1 (FREE BASE)

>  <URL> (169)
http://www.selleckchem.com/products/Sodium-valproate.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/08142015502D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8666   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285    8.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6762   11.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7334    6.8383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.8666   11.7715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2000   10.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    7.5525    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2762    9.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381   10.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0382    9.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6287    3.4667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4000   14.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4478   13.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    7.5812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0476    5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5906    5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6287    2.0956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3620    4.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0953   15.7428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2954   12.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    6.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3714    1.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4192    1.3717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2001    3.4192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4478   15.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6475   12.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2191    2.0956    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2001    1.9812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4764    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    4.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1905   16.9907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1525   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0000   16.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6477   11.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2191    3.4667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4285    1.5144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0764    1.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4953   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6000   16.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4572   19.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9905   12.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2856   10.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4285    4.1907    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6191    2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2475   19.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0954   18.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6191    3.5811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4285    5.5907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7999    4.3526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0285   12.4098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    6.2574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7430   12.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5191    4.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 40 34  1  0  0  0  0
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 36 41  1  0  0  0  0
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 38 45  1  0  0  0  0
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 39 47  2  0  0  0  0
 40 48  1  0  0  0  0
 40 49  1  1  0  0  0
 41 50  1  6  0  0  0
 43 51  1  0  0  0  0
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 45 52  1  0  0  0  0
 47 55  1  0  0  0  0
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 52 59  1  6  0  0  0
 53 60  1  0  0  0  0
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 58 61  1  0  0  0  0
 61 63  1  6  0  0  0
 19 67  1  6  0  0  0
 48 68  1  6  0  0  0
M  END
>  <Mol_ID> (170)
2271

>  <Formula> (170)
C47H80O18

>  <MolWeight> (170)
933.1273

>  <Cat> (170)
S3785

>  <Name> (170)
Notoginsenoside R1

>  <Synonyms> (170)
Sanchinoside R1

>  <Target> (170)
Others

>  <Form> (170)
free base

>  <CAS> (170)
80418-24-2

>  <URL> (170)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
Isotretinoin.cdx
csChFnd80/08142015502D

 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
   12.1457    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9294    2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9376    0.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    2.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2845    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312    2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3624    0.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133    3.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3163    3.8751    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
  5  1  2  0  0  0  0
  4  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
  9 10  2  0  0  0  0
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 19 21  1  0  0  0  0
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M  END
>  <Mol_ID> (171)
2281

>  <Formula> (171)
C20H28O2

>  <MolWeight> (171)
300.43512

>  <Cat> (171)
S1379

>  <Name> (171)
Isotretinoin 

>  <Synonyms> (171)
13-cis retinoic acid

>  <Target> (171)
hydroxylase

>  <Form> (171)
free base

>  <CAS> (171)
4759-48-2

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/08142015502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (172)
C21H18O12

>  <MolWeight> (172)
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>  <Cat> (172)
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>  <Name> (172)
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>  <Synonyms> (172)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (172)
Others

>  <Form> (172)
free base

>  <CAS> (172)
27740-01-8

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

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untitled.cdx
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Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (173)
N/A

>  <Target> (173)
Akt

>  <Form> (173)
Free Base

>  <CAS> (173)
58066-85-6

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

$$$$
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csChFnd80/08142015502D

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2302

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C17H15NO3

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NU7026

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N/A

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DNA-PK

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Free Base

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154447-35-5

>  <URL> (174)
http://www.selleckchem.com/products/nu7026.html

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GSK2636771

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N/A

>  <Target> (175)
PI3K

>  <Form> (175)
Free Base

>  <CAS> (175)
1372540-25-4

>  <URL> (175)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
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>  <Synonyms> (177)
N/A

>  <Target> (177)
PI3K

>  <Form> (177)
Free Base

>  <CAS> (177)
1201438-56-3

>  <URL> (177)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (178)
2349

>  <Formula> (178)
C26H21N3O3

>  <MolWeight> (178)
423.46324

>  <Cat> (178)
S7086

>  <Name> (178)
IWR-1-endo

>  <Synonyms> (178)
IWR-1

>  <Target> (178)
Wnt/beta-catenin

>  <Form> (178)
Free Base

>  <CAS> (178)
1127442-82-3

>  <URL> (178)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (179)
2355

>  <Formula> (179)
C8H5NO4S

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211.1946

>  <Cat> (179)
S7024

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Stattic

>  <Synonyms> (179)
N/A

>  <Target> (179)
STAT

>  <Form> (179)
Free Base

>  <CAS> (179)
19983-44-9

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

$$$$
Butein.cdx
csChFnd80/08142015502D

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>  <Formula> (180)
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>  <Cat> (180)
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>  <Name> (180)
Butein

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N/A

>  <Target> (180)
EGFR

>  <Form> (180)
Free Base

>  <CAS> (180)
487-52-5

>  <URL> (180)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (181)
2369

>  <Formula> (181)
C18H16N2O2

>  <MolWeight> (181)
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>  <Cat> (181)
S7099

>  <Name> (181)
(-)-Blebbistatin

>  <Synonyms> (181)
N/A

>  <Target> (181)
ATPase

>  <Form> (181)
Free Base

>  <CAS> (181)
856925-71-8

>  <URL> (181)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
untitled.cdx
csChFnd80/08142015502D

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    6.0622    7.0097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   13.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150   14.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456   15.5255    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533   15.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6097    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    3.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2801    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2801    3.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (182)
2376

>  <Formula> (182)
C21H16N6O2S2

>  <MolWeight> (182)
448.52074

>  <Cat> (182)
S1118

>  <Name> (182)
XL147 analogue

>  <Synonyms> (182)
SAR245408

>  <Target> (182)
PI3K 

>  <Form> (182)
Free Base

>  <CAS> (182)
956958-53-5

>  <URL> (182)
http://www.selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/08142015502D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    5.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    8.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3957    4.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6231    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6130    1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2507    2.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984    3.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2372    3.9529    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.8748    5.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5895    3.5906    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9888    1.1030    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 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 16  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (183)
2380

>  <Formula> (183)
C16H15BrClN5O4S

>  <MolWeight> (183)
488.7434

>  <Cat> (183)
S1205

>  <Name> (183)
PIK-75 

>  <Synonyms> (183)
N/A

>  <Target> (183)
PI3K, DNA-PK

>  <Form> (183)
Hydrochloride

>  <CAS> (183)
372196-77-5

>  <URL> (183)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
Ellagic acid.cdx
csChFnd80/08142015502D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6903    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
  4  7  2  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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  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  1  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 19  2  0  0  0  0
  9 20  1  0  0  0  0
  8 21  1  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (184)
2392

>  <Formula> (184)
C14H6O8

>  <MolWeight> (184)
302.19264

>  <Cat> (184)
S1327

>  <Name> (184)
Ellagic acid

>  <Synonyms> (184)
N/A

>  <Target> (184)
Topoisomerases

>  <Form> (184)
Free Base

>  <CAS> (184)
476-66-4

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

$$$$
Ketoconazole.cdx
csChFnd80/08142015502D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.3005   11.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    9.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9281    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    9.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6428   10.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6528   11.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140   12.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   13.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864   14.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3341   13.9895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9718   12.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9617   11.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476   14.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087   16.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2669    8.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6045    7.4278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6045    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7589    6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6356    5.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5724    6.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8724    7.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5030    6.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7235    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7235    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1484    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1484    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3566    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  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 18  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 20 23  1  1  0  0  0
 20 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 34 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (185)
2396

>  <Formula> (185)
C26H28Cl2N4O4

>  <MolWeight> (185)
531.43092

>  <Cat> (185)
S1353

>  <Name> (185)
Ketoconazole

>  <Synonyms> (185)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (185)
P450

>  <Form> (185)
Free Base

>  <CAS> (185)
65277-42-1

>  <URL> (185)
http://www.selleckchem.com/products/Ketoconazole.html

$$$$
bms-707035.cdx
csChFnd80/08142015502D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (186)
2397

>  <Formula> (186)
C18H11N3O2S

>  <MolWeight> (186)
333.36384

>  <Cat> (186)
S1360

>  <Name> (186)
GSK1059615

>  <Synonyms> (186)
N/A

>  <Target> (186)
PI3K, mTOR

>  <Form> (186)
Free Base

>  <CAS> (186)
958852-01-2

>  <URL> (186)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
S3003 Dinoprostone.cdx
csChFnd80/08142015502D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.2233    4.3749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0800    3.0487    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9574    4.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357    5.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6747    2.7440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    3.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968    6.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4049    1.3523    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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M  END
>  <Mol_ID> (187)
2401

>  <Formula> (187)
C20H32O5

>  <MolWeight> (187)
352.46508

>  <Cat> (187)
S3003

>  <Name> (187)
Dinoprostone

>  <Form> (187)
free base

>  <CAS> (187)
363-24-6

$$$$
LY2228820.cdx
csChFnd80/08142015502D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (188)
2405

>  <Formula> (188)
C26H37FN6O6S2

>  <MolWeight> (188)
612.7369832

>  <Cat> (188)
S1494

>  <Name> (188)
LY2228820

>  <Synonyms> (188)
N/A

>  <Target> (188)
p38 MAPK

>  <Form> (188)
Dimesylate

>  <CAS> (188)
862507-23-1

>  <URL> (188)
http://www.selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/08142015502D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  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
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (189)
2426

>  <Formula> (189)
C4H7NaO2

>  <MolWeight> (189)
110.08695

>  <Cat> (189)
S1999

>  <Name> (189)
Sodium butyrate

>  <Synonyms> (189)
Butyric acid sodium salt

>  <Target> (189)
HDAC

>  <Form> (189)
Sodium Salt

>  <CAS> (189)
156-54-7

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

$$$$
Itraconazole.cdx
csChFnd80/08142015502D

 49 55  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (190)
2438

>  <Formula> (190)
C35H38Cl2N8O4

>  <MolWeight> (190)
705.63342

>  <Cat> (190)
S2476

>  <Name> (190)
Itraconazole (Sporanox)

>  <Synonyms> (190)
Sporanox

>  <Target> (190)
P450 (e.g. CYP17)

>  <Form> (190)
Free Base

>  <CAS> (190)
84625-61-6

>  <URL> (190)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

$$$$
PK-1587.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (191)
2451

>  <Formula> (191)
C32H41N9O4

>  <MolWeight> (191)
615.72584

>  <Cat> (191)
S2628

>  <Name> (191)
PF-05212384 (PKI-587)

>  <Synonyms> (191)
N/A 

>  <Target> (191)
mTOR, PI3K

>  <Form> (191)
Free Base

>  <CAS> (191)
1197160-78-3

>  <URL> (191)
http://www.selleckchem.com/products/pki587.html

$$$$
3.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (192)
2452

>  <Formula> (192)
C26H24F4N6O

>  <MolWeight> (192)
512.5019728

>  <Cat> (192)
S2157

>  <Name> (192)
Taladegib (LY2940680)

>  <Synonyms> (192)
N/A

>  <Target> (192)
Hedgehog, Smoothened

>  <Form> (192)
Free Base

>  <CAS> (192)
1258861-20-9

>  <URL> (192)
http://www.selleckchem.com/products/ly2940680.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (193)
2455

>  <Formula> (193)
C25H19NO3S

>  <MolWeight> (193)
413.48826

>  <Cat> (193)
S2638

>  <Name> (193)
NU7441(KU-57788)

>  <Synonyms> (193)
N/A 

>  <Target> (193)
DNA-PK, PI3K

>  <Form> (193)
Free Base

>  <CAS> (193)
503468-95-9 

>  <URL> (193)
http://www.selleckchem.com/products/nu7441.html

$$$$
Trazodone hydrochloride.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (194)
2462

>  <Formula> (194)
C19H23Cl2N5O

>  <MolWeight> (194)
408.32482

>  <Cat> (194)
S2582

>  <Name> (194)
Trazodone hydrochloride (Desyrel)

>  <Synonyms> (194)
N/A 

>  <Target> (194)
5-HT Receptor

>  <Form> (194)
Hydrochloride

>  <CAS> (194)
25332-39-2 

>  <URL> (194)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/08142015502D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
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 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (195)
2463

>  <Formula> (195)
C23H14Na2O11

>  <MolWeight> (195)
512.3302

>  <Cat> (195)
S1911

>  <Name> (195)
Disodium Cromoglycate

>  <Synonyms> (195)
Gynazole

>  <Target> (195)
Calcium Channel

>  <Form> (195)
Disodium Salt

>  <CAS> (195)
15826-37-6

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

$$$$
Wnt-C59 (C59).cdx
csChFnd80/08142015502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7322    4.1976    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
  2  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 11 14  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
>  <Mol_ID> (196)
2476

>  <Formula> (196)
C25H21N3O

>  <MolWeight> (196)
379.45374

>  <Cat> (196)
S7037

>  <Name> (196)
Wnt-C59 (C59)

>  <Synonyms> (196)
N/A

>  <Target> (196)
Wnt/beta-catenin

>  <Form> (196)
Free Base

>  <CAS> (196)
1243243-89-1

>  <URL> (196)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
Nefopam HCl.cdx
csChFnd80/08142015502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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  8  1  1  0  0  0  0
  1  9  1  0  0  0  0
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 12  2  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (197)
2479

>  <Formula> (197)
C17H20ClNO

>  <MolWeight> (197)
289.7998

>  <Cat> (197)
S4180

>  <Name> (197)
Nefopam HCl

>  <Synonyms> (197)
N/A

>  <Target> (197)
Others

>  <Form> (197)
Hydrochloride

>  <CAS> (197)
23327-57-3

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

$$$$
AZD8186.cdx
csChFnd80/08142015502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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   10.9169    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
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 10  2  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 12  1  0  0  0  0
M  END
>  <Mol_ID> (198)
2510

>  <Formula> (198)
C24H25F2N3O4

>  <MolWeight> (198)
457.4698064

>  <Cat> (198)
S7694

>  <Name> (198)
AZD8186

>  <Synonyms> (198)
N/A

>  <Target> (198)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (198)
Free Base

>  <CAS> (198)
1627494-13-6

>  <URL> (198)
http://www.selleckchem.com/products/azd8186.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/08142015502D

 33 36  0  0  0  0  0  0  0  0999 V2000
   12.3931    8.4614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3931    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1804    6.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9653    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9653    8.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1804    9.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6340    6.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1804   10.5624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8070   11.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5454    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7543    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    3.5604    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.9899    3.1511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1411    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    1.4698    4.6640    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
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  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
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 15 18  1  0  0  0  0
 13  7  1  1  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 17  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  2  0  0  0  0
 31 32  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (199)
2511

>  <Formula> (199)
C18H23N5NaO8P

>  <MolWeight> (199)
491.367451

>  <Cat> (199)
S7858

>  <Name> (199)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (199)
dbcAMP

>  <Target> (199)
PKA

>  <Form> (199)
sodium salt

>  <CAS> (199)
16980-89-5

>  <URL> (199)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/08142015502D

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.7109    6.6719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7109    5.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    4.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4989    7.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1300    5.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9538    7.1047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    8.7718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    1.2327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.9538    2.0539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0591    2.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    2.0539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2390    0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401    3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6476    1.7734    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.3138    1.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    0.7934    2.8765    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 11  1  0  0  0  0
 12 16  1  1  0  0  0
 11 17  1  1  0  0  0
 15 18  1  0  0  0  0
 13  7  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
  8 24  1  0  0  0  0
 21 22  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (200)
2515

>  <Formula> (200)
C10H10BrN5NaO6P

>  <MolWeight> (200)
430.083831

>  <Cat> (200)
S7857

>  <Name> (200)
8-Bromo-cAMP

>  <Synonyms> (200)
N/A

>  <Target> (200)
PKA

>  <Form> (200)
sodium salt

>  <CAS> (200)
76939-46-3

>  <URL> (200)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/08142015502D

 35 38  0  0  0  0  0  0  0  0999 V2000
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7028    3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1028    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    8.2388    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   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
   12.9092    9.5828    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 22 27  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 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> (201)
2518

>  <Formula> (201)
C28H29Cl2N3OS

>  <MolWeight> (201)
526.52036

>  <Cat> (201)
S7779

>  <Name> (201)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (201)
N/A

>  <Target> (201)
Hedgehog/Smoothened

>  <Form> (201)
Hydrochloride

>  <CAS> (201)
912545-86-9

>  <URL> (201)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/08142015502D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    8.4786    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (202)
2524

>  <Formula> (202)
C28H32O6

>  <MolWeight> (202)
464.55008

>  <Cat> (202)
S7259

>  <Name> (202)
FLLL32

>  <Synonyms> (202)
N/A

>  <Target> (202)
JAK

>  <Form> (202)
Free Base

>  <CAS> (202)
1226895-15-3

>  <URL> (202)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (203)
2527

>  <Formula> (203)
C26H44NNaO6S

>  <MolWeight> (203)
521.68543

>  <Cat> (203)
S7896

>  <Name> (203)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (203)
N/A

>  <Target> (203)
Antifection

>  <Form> (203)
sodium salt

>  <CAS> (203)
35807-85-3

>  <URL> (203)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (204)
2528

>  <Formula> (204)
C24H28N8O2

>  <MolWeight> (204)
460.53152

>  <Cat> (204)
S7103

>  <Name> (204)
GDC-0032

>  <Synonyms> (204)
RG7604

>  <Target> (204)
PI3K

>  <Form> (204)
Free Base

>  <CAS> (204)
1282512-48-4

>  <URL> (204)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (205)
2531

>  <Formula> (205)
C11H10N2O2S

>  <MolWeight> (205)
234.2743

>  <Cat> (205)
S7914

>  <Name> (205)
Isoxazole 9 (ISX-9)

>  <Synonyms> (205)
N/A

>  <Target> (205)
Others

>  <Form> (205)
Free Base

>  <CAS> (205)
832115-62-5

>  <URL> (205)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
PF-03084014.cdx
csChFnd80/08142015502D

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1290543-63-3

>  <URL> (206)
http://www.selleckchem.com/products/pf-03084014-pf-3084014.html

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N/A

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VEGFR

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Free Base

>  <CAS> (207)
215543-92-3

>  <URL> (207)
http://www.selleckchem.com/products/su5402.html

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P7C3

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NAMPT

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Free Base

>  <CAS> (208)
301353-96-8

>  <URL> (208)
http://www.selleckchem.com/products/p7c3.html

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N/A

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1616632-77-9

>  <URL> (209)
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>  <Target> (210)
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>  <CAS> (210)
667463-85-6

>  <URL> (210)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
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 10  5  1  0  0  0  0
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 11  2  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 11  1  0  0  0  0
M  END
>  <Mol_ID> (211)
2555

>  <Formula> (211)
C21H16FN7

>  <MolWeight> (211)
385.3970432

>  <Cat> (211)
S7813

>  <Name> (211)
AMG319

>  <Synonyms> (211)
N/A

>  <Target> (211)
PI3K

>  <Form> (211)
Free Base

>  <CAS> (211)
1608125-21-8

>  <URL> (211)
http://www.selleckchem.com/products/amg319.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/08142015502D

 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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    2.7946    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (212)
2567

>  <Formula> (212)
C8H16O2

>  <MolWeight> (212)
144.21144

>  <Cat> (212)
S3944

>  <Name> (212)
Valproic acid

>  <Synonyms> (212)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (212)
HDAC1

>  <Form> (212)
free base

>  <CAS> (212)
99-66-1

>  <URL> (212)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
S3788 Carvacrol.cdx
csChFnd80/08142015502D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    3.6373    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
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  1  6  2  0  0  0  0
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M  END
>  <Mol_ID> (213)
2582

>  <Formula> (213)
C10H14O

>  <MolWeight> (213)
150.21756

>  <Cat> (213)
S3788

>  <Name> (213)
Carvacrol

>  <Synonyms> (213)
cymophenol

>  <Target> (213)
Others

>  <Form> (213)
free base

>  <CAS> (213)
499-75-2

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

$$$$
Minocycline hydrochloride.cdx
csChFnd80/08142015502D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2501    3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4778    1.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6958    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924    5.5778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10 18  1  0  0  0  0
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 10 35  1  6  0  0  0
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 13 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (214)
2605

>  <Formula> (214)
C23H28ClN3O7

>  <MolWeight> (214)
493.93732

>  <Cat> (214)
S4226

>  <Name> (214)
Minocycline HCl

>  <Synonyms> (214)
N/A

>  <Target> (214)
Antifectio

>  <Form> (214)
Hydrochloride

>  <CAS> (214)
13614-98-7

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

$$$$
SKI II (SphK-I2).cdx
csChFnd80/08142015502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    2.3451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    2.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2986    2.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3123    0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  2  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (215)
2614

>  <Formula> (215)
C15H11ClN2OS

>  <MolWeight> (215)
302.77864

>  <Cat> (215)
S7176

>  <Name> (215)
SKI II

>  <Synonyms> (215)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (215)
S1P Receptor

>  <Form> (215)
Free Base

>  <CAS> (215)
312636-16-1

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

$$$$
purmorphamine.cdx
csChFnd80/08142015502D

 39 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
2617

>  <Formula> (216)
C31H32N6O2

>  <MolWeight> (216)
520.62478

>  <Cat> (216)
S3042

>  <Name> (216)
Purmorphamine

>  <Synonyms> (216)
N/A

>  <Target> (216)
Hedgehog/Smoothened

>  <Form> (216)
Free Base

>  <CAS> (216)
483367-10-8

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

$$$$
brefeldin A.cdx
csChFnd80/08142015502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 13  8  2  0  0  0  0
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 11 22  1  6  0  0  0
M  END
>  <Mol_ID> (217)
2619

>  <Formula> (217)
C16H24O4

>  <MolWeight> (217)
280.35936

>  <Cat> (217)
S7046

>  <Name> (217)
Brefeldin A 

>  <Synonyms> (217)
BFA

>  <Target> (217)
ATPase

>  <Form> (217)
Free Base

>  <CAS> (217)
20350-15-6

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

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/08142015502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
2625

>  <Formula> (218)
C16H10BrN3O2

>  <MolWeight> (218)
356.1735

>  <Cat> (218)
S7198

>  <Name> (218)
BIO

>  <Synonyms> (218)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (218)
GSK-3

>  <Form> (218)
Free Base

>  <CAS> (218)
667463-62-9

>  <URL> (218)
http://www.selleckchem.com/products/bio.html

$$$$
OAC1.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (219)
2628

>  <Formula> (219)
C14H11N3O

>  <MolWeight> (219)
237.25664

>  <Cat> (219)
S7217

>  <Name> (219)
OAC1

>  <Synonyms> (219)
Oct4-activating Compound 1

>  <Target> (219)
Others

>  <Form> (219)
Free Base

>  <CAS> (219)
300586-90-7

>  <URL> (219)
http://www.selleckchem.com/products/oac1.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/08142015502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (220)
2629

>  <Formula> (220)
C17H13N5

>  <MolWeight> (220)
287.31862

>  <Cat> (220)
S7223

>  <Name> (220)
RepSox

>  <Synonyms> (220)
E-616452, SJN 2511

>  <Target> (220)
TGF-beta/Smad

>  <Form> (220)
Free Base

>  <CAS> (220)
446859-33-2

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

$$$$
AZD2858.cdx
csChFnd80/08142015502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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GSK-3

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Free Base

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486424-20-8

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http://www.selleckchem.com/products/azd2858.html

$$$$
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csChFnd80/08142015502D

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C23H26ClNO

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S8004

>  <Name> (222)
ZM 39923 HCl

>  <Synonyms> (222)
N/A

>  <Target> (222)
JAK

>  <Form> (222)
HCl

>  <CAS> (222)
1021868-92-7

>  <URL> (222)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/08142015502D

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C12H11N3O

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PluriSIn #1 (NSC 14613)

>  <Synonyms> (223)
N/A

>  <Target> (223)
Dehydrogenase

>  <Form> (223)
Free Base

>  <CAS> (223)
91396-88-2

>  <URL> (223)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (224)
2640

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C26H27N5O5S2

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>  <Cat> (224)
S7207

>  <Name> (224)
Ro 31-8220 Mesylate

>  <Synonyms> (224)
Bisindolylmaleimide IX Mesylate

>  <Target> (224)
PKC

>  <Form> (224)
Mesylate

>  <CAS> (224)
138489-18-6

>  <URL> (224)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
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csChFnd80/08142015502D

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2643

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C15H17FN6O2S

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>  <Cat> (225)
S7018

>  <Name> (225)
CZC24832

>  <Synonyms> (225)
N/A

>  <Target> (225)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (225)
Free Base

>  <CAS> (225)
1159824-67-5

>  <URL> (225)
http://www.selleckchem.com/products/czc24832.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (226)
2650

>  <Formula> (226)
C24H27Cl2N5O

>  <MolWeight> (226)
472.41008

>  <Cat> (226)
S7306

>  <Name> (226)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (226)
BML-275,Compound C

>  <Target> (226)
AMPK

>  <Form> (226)
Dihydrochloride

>  <CAS> (226)
1219168-18-9

>  <URL> (226)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
pimozide.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (227)
2696

>  <Formula> (227)
C28H29F2N3O

>  <MolWeight> (227)
461.5461664

>  <Cat> (227)
S4358

>  <Name> (227)
pimozide

>  <Synonyms> (227)
N/A

>  <Target> (227)
Others

>  <Form> (227)
Free Base

>  <CAS> (227)
2062-78-4

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

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (228)
2705

>  <Formula> (228)
C21H27ClN2S2

>  <MolWeight> (228)
407.03548

>  <Cat> (228)
S5563

>  <Name> (228)
Thioridazine hydrochloride

>  <Synonyms> (228)
Aldazine, Mellaril

>  <Target> (228)
Others

>  <Form> (228)
hydrochloride 

>  <CAS> (228)
130-61-0

>  <URL> (228)
http://selleckchem.com/products/thioridazine-hydrochloride.html

$$$$
BMS-833923 (XL139).cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (229)
2709

>  <Formula> (229)
C30H27N5O

>  <MolWeight> (229)
473.56828

>  <Cat> (229)
S7138

>  <Name> (229)
BMS-833923 (XL139)

>  <Synonyms> (229)
XL139

>  <Target> (229)
Hedgehog/Smoothened

>  <Form> (229)
Free Base

>  <CAS> (229)
1059734-66-5

>  <URL> (229)
http://www.selleckchem.com/products/bms-833923.html

$$$$
XL019.cdx
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937272-79-2

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http://www.selleckchem.com/products/pacritinib-sb1518.html

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2741

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LGK-974

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N/A

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Wnt/beta-catenin

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Free Base

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1243244-14-5

>  <URL> (234)
http://www.selleckchem.com/products/lgk-974.html

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2747

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IWP L6

>  <Synonyms> (235)
Porcn Inhibitor III

>  <Target> (235)
Wnt/beta-catenin

>  <Form> (235)
Free Base

>  <CAS> (235)
1427782-89-5

>  <URL> (235)
http://www.selleckchem.com/products/iwp-l6.html

$$$$
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>  <Mol_ID> (236)
2751

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C12H12N4O4S

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GSK-3¦Â Inhibitor VIII

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GSK-3

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Free Base

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487021-52-3

>  <URL> (236)
http://www.selleckchem.com/products/ar-a014418.html

$$$$
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TGF-beta/Smad

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Free Base

>  <CAS> (237)
1431985-92-0

>  <URL> (237)
http://www.selleckchem.com/products/k02288.html

$$$$
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Gamma-secretase

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313967-18-9

>  <URL> (238)
http://www.selleckchem.com/products/fli-06.html

$$$$
LDN193189 HCl.cdx
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C25H23ClN6

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LDN193189 HCl

>  <Synonyms> (239)
N/A

>  <Target> (239)
TGF-beta/Smad

>  <Form> (239)
Hydrochloride

>  <CAS> (239)
1062368-62-0

>  <URL> (239)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
1-Azakenpaullone.cdx
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2776

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1-Azakenpaullone

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GSK-3

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Free Base

>  <CAS> (240)
676596-65-9

>  <URL> (240)
http://www.selleckchem.com/products/1-azakenpaullone.html

$$$$
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TGF-beta/Smad

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Free Base

>  <CAS> (241)
1062368-49-3

>  <URL> (241)
http://www.selleckchem.com/products/ml347.html

$$$$
DMH1.cdx
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1364488-67-4

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http://www.selleckchem.com/products/yh239-ee.html

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686770-61-6

>  <URL> (249)
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ERK

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865362-74-9

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http://www.selleckchem.com/products/fr180204.html

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M  END
>  <Mol_ID> (254)
2869

>  <Formula> (254)
C32H36N6O4

>  <MolWeight> (254)
568.66604

>  <Cat> (254)
S7565

>  <Name> (254)
WH-4-023

>  <Synonyms> (254)
KIN001-112

>  <Target> (254)
Src

>  <Form> (254)
Free Base

>  <CAS> (254)
837422-57-8

>  <URL> (254)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/08142015502D

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 14  6  1  0  0  0  0
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M  END
>  <Mol_ID> (255)
2872

>  <Formula> (255)
C19H17NO3

>  <MolWeight> (255)
307.34318

>  <Cat> (255)
S7310

>  <Name> (255)
SF1670 (PTEN inhibitor)

>  <Synonyms> (255)
N/A

>  <Target> (255)
PTEN

>  <Form> (255)
Free Base

>  <CAS> (255)
345630-40-2

>  <URL> (255)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (256)
2873

>  <Formula> (256)
C22H20FN3O2

>  <MolWeight> (256)
377.4115032

>  <Cat> (256)
S7566

>  <Name> (256)
IM-12

>  <Synonyms> (256)
N/A

>  <Target> (256)
GSK-3

>  <Form> (256)
Free Base

>  <CAS> (256)
1129669-05-1

>  <URL> (256)
http://www.selleckchem.com/products/im-12.html

$$$$
filgotinib.cdx
csChFnd80/08142015502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (257)
2891

>  <Formula> (257)
C21H23N5O3S

>  <MolWeight> (257)
425.50402

>  <Cat> (257)
S7605

>  <Name> (257)
Filgotinib£¨GLPG0643)

>  <Synonyms> (257)
N/A

>  <Target> (257)
JAK

>  <Form> (257)
Free Base

>  <CAS> (257)
1206161-97-8

>  <URL> (257)
http://www.selleckchem.com/products/filgotinib.html

$$$$
EW-7197.cdx
csChFnd80/08142015502D

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4727-31-5

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PI3K

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1246560-33-7

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133052-90-1

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M  END
>  <Mol_ID> (263)
2934

>  <Formula> (263)
C13H10BrN3O4

>  <MolWeight> (263)
352.1402

>  <Cat> (263)
S7651

>  <Name> (263)
SB225002

>  <Synonyms> (263)
N/A

>  <Target> (263)
CXCR

>  <Form> (263)
Free Base

>  <CAS> (263)
182498-32-4

>  <URL> (263)
http://www.selleckchem.com/products/sb225002.html

$$$$
Reversine.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (264)
2952

>  <Formula> (264)
C21H27N7O

>  <MolWeight> (264)
393.48538

>  <Cat> (264)
S7588

>  <Name> (264)
Reversine

>  <Synonyms> (264)
N/A

>  <Target> (264)
Adenosine Receptor

>  <Form> (264)
Free Base

>  <CAS> (264)
656820-32-5

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

$$$$
Piperlongumine.cdx
csChFnd80/08142015502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (265)
2955

>  <Formula> (265)
C17H19NO5

>  <MolWeight> (265)
317.33646

>  <Cat> (265)
S7551

>  <Name> (265)
Piperlongumine

>  <Synonyms> (265)
PPLGM

>  <Target> (265)
ROS,CRM

>  <Form> (265)
Free Base

>  <CAS> (265)
20069-09-4

>  <URL> (265)
http://www.selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/08142015502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (266)
2956

>  <Formula> (266)
C17H16ClN3O

>  <MolWeight> (266)
313.78144

>  <Cat> (266)
S7563

>  <Name> (266)
AT13148

>  <Synonyms> (266)
N/A

>  <Target> (266)
Akt

>  <Form> (266)
Free Base

>  <CAS> (266)
1056901-62-2

>  <URL> (266)
http://www.selleckchem.com/products/at13148.html

$$$$
PI-3065.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (267)
2974

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>  <Mol_ID> (280)
3056

>  <Formula> (280)
C21H22Cl2N4O2

>  <MolWeight> (280)
433.33098

>  <Cat> (280)
S7854

>  <Name> (280)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (280)
N/A

>  <Target> (280)
ERK

>  <Form> (280)
Free Base

>  <CAS> (280)
869886-67-9

>  <URL> (280)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/08142015502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (281)
3059

>  <Formula> (281)
C24H25N5O

>  <MolWeight> (281)
399.4882

>  <Cat> (281)
S7840

>  <Name> (281)
Dorsomorphin (Compound C)

>  <Synonyms> (281)
Compound C, BML-275

>  <Target> (281)
AMPK

>  <Form> (281)
Free Base

>  <CAS> (281)
866405-64-3

>  <URL> (281)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

csChFnd80/08142015502D

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>  <Mol_ID> (282)
3066

>  <Formula> (282)
C26H28N4O3

>  <MolWeight> (282)
444.52552

>  <Cat> (282)
S7921

>  <Name> (282)
DEL-22379

>  <Synonyms> (282)
N/A

>  <Target> (282)
ERK

>  <Form> (282)
Free Base

>  <CAS> (282)
181223-80-3

>  <URL> (282)
http://www.selleckchem.com/products/del-22379.html

$$$$
BBI608(Napabucasin.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (283)
3067

>  <Formula> (283)
C14H8O4

>  <MolWeight> (283)
240.21092

>  <Cat> (283)
S7977

>  <Name> (283)
Napabucasin

>  <Synonyms> (283)
N/A

>  <Target> (283)
STAT

>  <Form> (283)
Free Base

>  <CAS> (283)
83280-65-3

>  <URL> (283)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
STF-31.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (284)
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JAK

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944118-01-8

>  <URL> (287)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

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459147-39-8

>  <URL> (288)
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944842-54-0

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http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
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ERK

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Free Base

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896720-20-0

>  <URL> (290)
http://www.selleckchem.com/products/vx-11e.html

$$$$
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csChFnd80/08142015502D

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934493-76-2

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http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
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1419949-20-4

>  <URL> (292)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
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M  END
>  <Mol_ID> (293)
3110

>  <Formula> (293)
C15H23ClFN3O4S

>  <MolWeight> (293)
395.8772232

>  <Cat> (293)
S7995

>  <Name> (293)
Ripasudil (K-115)

>  <Synonyms> (293)
N/A

>  <Target> (293)
ROCK

>  <Form> (293)
Hydrochloride dihydrate

>  <CAS> (293)
887375-67-9

>  <URL> (293)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (294)
3121

>  <Formula> (294)
C26H24N6O2

>  <MolWeight> (294)
452.50776

>  <Cat> (294)
S7936

>  <Name> (294)
KD025 (SLx-2119)

>  <Synonyms> (294)
N/A

>  <Target> (294)
ROCK

>  <Form> (294)
Free Base

>  <CAS> (294)
911417-87-3

>  <URL> (294)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (295)
3127

>  <Formula> (295)
C19H14O4

>  <MolWeight> (295)
306.31206

>  <Cat> (295)
S7951

>  <Name> (295)
STA-21

>  <Synonyms> (295)
N/A

>  <Target> (295)
STAT

>  <Form> (295)
Free Base

>  <CAS> (295)
111540-00-2

>  <URL> (295)
http://www.selleckchem.com/products/sta-21.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (296)
3139

>  <Formula> (296)
C19H19ClN4O3

>  <MolWeight> (296)
386.83216

>  <Cat> (296)
S8178

>  <Name> (296)
Wnt agonist 1

>  <Synonyms> (296)
N/A

>  <Target> (296)
Wnt/beta-catenin

>  <Form> (296)
Hydrochloride

>  <CAS> (296)
853220-52-7(free-base)

>  <URL> (296)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
Bay K 8644.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (297)
3143

>  <Formula> (297)
C16H15F3N2O4

>  <MolWeight> (297)
356.2965096

>  <Cat> (297)
S7924

>  <Name> (297)
Bay K 8644

>  <Synonyms> (297)
N/A

>  <Target> (297)
Calcium Channel

>  <Form> (297)
Free Base

>  <CAS> (297)
71145-03-4

>  <URL> (297)
http://www.selleckchem.com/products/bay-k-8644.html

$$$$
VPS34-IN1.cdx
csChFnd80/08142015502D

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1383716-33-3

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AZ6102.cdx
csChFnd80/08142015502D

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1645286-75-4

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http://www.selleckchem.com/products/az6102.html

$$$$
Kenpaullone.cdx
csChFnd80/08142015502D

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CDK

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142273-20-9

>  <URL> (300)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/08142015502D

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1640292-55-2

>  <URL> (301)
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$$$$
PIK-III.cdx
csChFnd80/08142015502D

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186611-52-9

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http://www.selleckchem.com/products/ic261.html

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M  END
>  <Mol_ID> (314)
3257

>  <Formula> (314)
C28H29ClN4O3

>  <MolWeight> (314)
505.00786

>  <Cat> (314)
S7663

>  <Name> (314)
LY333531 HCl

>  <Synonyms> (314)
Ruboxistaurin

>  <Target> (314)
PKC

>  <Form> (314)
hydrochloride

>  <CAS> (314)
169939-93-9

>  <URL> (314)
http://www.selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (315)
3261

>  <Formula> (315)
C28H28ClN3O3

>  <MolWeight> (315)
489.99322

>  <Cat> (315)
S7959

>  <Name> (315)
SIS3 HCl

>  <Synonyms> (315)
N/A

>  <Target> (315)
TGF-beta/Smad

>  <Form> (315)
hydrochloride

>  <CAS> (315)
521984-48-5

>  <URL> (315)
http://www.selleckchem.com/products/sis3.html

$$$$
MK-4101.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (316)
3262

>  <Formula> (316)
C24H24F5N5O

>  <MolWeight> (316)
493.472276

>  <Cat> (316)
S8200

>  <Name> (316)
MK-4101

>  <Synonyms> (316)
N/A

>  <Target> (316)
Hedgehog/Smoothened

>  <Form> (316)
Free Base

>  <CAS> (316)
935273-79-3

>  <URL> (316)
http://www.selleckchem.com/products/mk-4101.html

$$$$
VO-Ohpic.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (317)
3263

>  <Formula> (317)
C12H15N2O11V

>  <MolWeight> (317)
414.1958

>  <Cat> (317)
S8174

>  <Name> (317)
VO-Ohpic trihydrate

>  <Synonyms> (317)
N/A

>  <Target> (317)
Others

>  <Form> (317)
trihydrate

>  <CAS> (317)
476310-60-8

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

$$$$
ATI-2341.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (318)
3269

>  <Formula> (318)
C104H178N26O25S2

>  <MolWeight> (318)
2256.81532

>  <Cat> (318)
S8309

>  <Name> (318)
ATI-2341

>  <Synonyms> (318)
N/A

>  <Target> (318)
CXCR

>  <Form> (318)
Free Base

>  <CAS> (318)
1337878-62-2

>  <URL> (318)
http://www.selleckchem.com/products/ati-2341.html

$$$$
KYA1797K.cdx
csChFnd80/08142015502D

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3272

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KYA1797K

>  <Synonyms> (319)
N/A

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

>  <Form> (319)
potassium salt

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

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

$$$$
AZD8835.cdx
csChFnd80/08142015502D

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3273

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C22H31N9O3

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S7966

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AZD8835

>  <Synonyms> (320)
N/A

>  <Target> (320)
PI3K

>  <Form> (320)
Free Base

>  <CAS> (320)
1620576-64-8

>  <URL> (320)
http://www.selleckchem.com/products/azd8835.html

$$$$
BMS-911543.cdx
csChFnd80/08142015502D

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C23H28N8O

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BMS-911543

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N/A

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JAK

>  <Form> (321)
Free Base

>  <CAS> (321)
1271022-90-2

>  <URL> (321)
http://www.selleckchem.com/products/bms-911543.html

$$$$
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csChFnd80/08142015502D

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Deguelin

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(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (322)
Akt

>  <Form> (322)
Free Base

>  <CAS> (322)
522-17-8

>  <URL> (322)
http://www.selleckchem.com/products/deguelin.html

$$$$
Alantolactone.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (323)
3300

>  <Formula> (323)
C15H20O2

>  <MolWeight> (323)
232.3181

>  <Cat> (323)
S8318

>  <Name> (323)
Alantolactone

>  <Synonyms> (323)
helenin, helenine, Eupatal

>  <Target> (323)
Others

>  <Form> (323)
Free Base

>  <CAS> (323)
546-43-0

>  <URL> (323)
http://www.selleckchem.com/products/alantolactone.html

$$$$
SKL2001.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (324)
3302

>  <Formula> (324)
C14H14N4O3

>  <MolWeight> (324)
286.28596

>  <Cat> (324)
S8320

>  <Name> (324)
SKL2001

>  <Synonyms> (324)
N/A

>  <Target> (324)
Wnt/beta-catenin

>  <Form> (324)
Free Base

>  <CAS> (324)
909089-13-0

>  <URL> (324)
http://www.selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (325)
3312

>  <Formula> (325)
C29H31ClN8O5

>  <MolWeight> (325)
607.06004

>  <Cat> (325)
S7687

>  <Name> (325)
GSK269962 HCl

>  <Synonyms> (325)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (325)
ROCK

>  <Form> (325)
hydrochloride

>  <CAS> (325)
850664-21-0(free base)

>  <URL> (325)
http://www.selleckchem.com/products/gsk269962.html

$$$$
GDC-0084.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (326)
3324

>  <Formula> (326)
C18H22N8O2

>  <MolWeight> (326)
382.41968

>  <Cat> (326)
S8163

>  <Name> (326)
GDC-0084

>  <Synonyms> (326)
N/A

>  <Target> (326)
PI3K

>  <Form> (326)
Free Base

>  <CAS> (326)
1382979-44-3

>  <URL> (326)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
XMU-MP-1.cdx
csChFnd80/08142015502D

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  2 15  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
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 18 15  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28  9  1  0  0  0  0
M  END
>  <Mol_ID> (327)
3338

>  <Formula> (327)
C17H16N6O3S2

>  <MolWeight> (327)
416.47734

>  <Cat> (327)
S8334

>  <Name> (327)
XMU-MP-1

>  <Synonyms> (327)
N/A

>  <Target> (327)
Hippo pathway

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/08142015502D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8919    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8919    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9541    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (328)
3339

>  <Formula> (328)
C16H18Cl2N4O

>  <MolWeight> (328)
353.24632

>  <Cat> (328)
S7935

>  <Name> (328)
Y-39983 HCl

>  <Synonyms> (328)
Y-33075 HCl

>  <Target> (328)
ROCK

>  <Form> (328)
dihydrochloride

>  <CAS> (328)
173897-44-4

>  <URL> (328)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/08142015502D

 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
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8635    3.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    5.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6693    3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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 10  3  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 17  1  0  0  0  0
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 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (329)
3343

>  <Formula> (329)
C21H20N2O3S

>  <MolWeight> (329)
380.4601

>  <Cat> (329)
S8448

>  <Name> (329)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (329)
N/A

>  <Target> (329)
ROCK

>  <Form> (329)
Free Base

>  <CAS> (329)
557782-81-7

>  <URL> (329)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
GSK2269557.cdx
csChFnd80/08142015502D

 33 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (330)
3350

>  <Formula> (330)
C26H28N6O

>  <MolWeight> (330)
440.54012

>  <Cat> (330)
S7937

>  <Name> (330)
GSK2269557

>  <Synonyms> (330)
Nemiralisib

>  <Target> (330)
PI3K

>  <Form> (330)
Free Base

>  <CAS> (330)
1254036-71-9

>  <URL> (330)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
LY3039478.cdx
csChFnd80/08142015502D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (331)
3353

>  <Formula> (331)
C22H23F3N4O4

>  <MolWeight> (331)
464.4376296

>  <Cat> (331)
S7169

>  <Name> (331)
LY3039478

>  <Synonyms> (331)
N/A

>  <Target> (331)
Gamma-secretase

>  <Form> (331)
Free Base

>  <CAS> (331)
1421438-81-4

>  <URL> (331)
http://www.selleckchem.com/products/ly3039478.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/08142015502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (332)
3364

>  <Formula> (332)
C21H25N7O

>  <MolWeight> (332)
391.4695

>  <Cat> (332)
S8456

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

>  <Synonyms> (332)
N/A

>  <Target> (332)
PI3K

>  <Form> (332)
Free Base

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

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

$$$$
BP-1-102.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (333)
3366

>  <Formula> (333)
C29H27F5N2O6S

>  <MolWeight> (333)
626.591496

>  <Cat> (333)
S7769

>  <Name> (333)
BP-1-102

>  <Synonyms> (333)
N/A

>  <Target> (333)
STAT

>  <Form> (333)
Free Base

>  <CAS> (333)
1334493-07-0

>  <URL> (333)
http://www.selleckchem.com/products/bp-1-102.html

$$$$
PNU-74654.cdx
csChFnd80/08142015502D

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3372

>  <Formula> (334)
C19H16N2O3

>  <MolWeight> (334)
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>  <Cat> (334)
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>  <Name> (334)
PNU-74654

>  <Synonyms> (334)
N/A

>  <Target> (334)
Wnt/beta-catenin

>  <Form> (334)
Free Base

>  <CAS> (334)
113906-27-7

>  <URL> (334)
http://www.selleckchem.com/products/pnu-74654.html

$$$$
SH5-07 (SH-5-07).cdx
csChFnd80/08142015502D

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SH5-07 (SH-5-07)

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N/A

>  <Target> (335)
STAT

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Free Base

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1456632-41-9

>  <URL> (335)
http://www.selleckchem.com/products/sh5-07.html

$$$$
AMD3465.cdx
csChFnd80/08142015502D

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3377

>  <Formula> (336)
C24H44Br6N6

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896.07036

>  <Cat> (336)
S2879

>  <Name> (336)
AMD3465 hexahydrobromide

>  <Synonyms> (336)
N/A

>  <Target> (336)
CXCR

>  <Form> (336)
HBr

>  <CAS> (336)
185991-07-5, 185991-24-6 (free base)

>  <URL> (336)
http://www.selleckchem.com/products/amd3465.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (337)
3390

>  <Formula> (337)
C19H15N3O2

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317.3413

>  <Cat> (337)
S7954

>  <Name> (337)
CP21R7 (CP21)

>  <Synonyms> (337)
N/A

>  <Target> (337)
Wnt/beta-catenin

>  <Form> (337)
Free Base

>  <CAS> (337)
125314-13-8

>  <URL> (337)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (338)
3392

>  <Formula> (338)
C15H18O2

>  <MolWeight> (338)
230.30222

>  <Cat> (338)
S8291

>  <Name> (338)
Atractylenolide I

>  <Synonyms> (338)
N/A

>  <Target> (338)
Immunology & Inflammation related

>  <Form> (338)
Free Base

>  <CAS> (338)
73069-13-3
73069-13-3

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

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/08142015502D

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xH2O
M  END
>  <Mol_ID> (339)
3395

>  <Formula> (339)
C14H18ClN3O3RS

>  <MolWeight> (339)
343.82902

>  <Cat> (339)
S8208

>  <Name> (339)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (339)
N/A

>  <Target> (339)
ROCK

>  <Form> (339)
hydrochloride

>  <CAS> (339)
155558-32-0 (HCl salt)

>  <URL> (339)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
TGR-1202.cdx
csChFnd80/08142015502D

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PI3K

>  <Form> (340)
Free Base

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1532533-67-7

>  <URL> (340)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
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csChFnd80/08142015502D

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3409

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C20H24N4O2S2

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416.56016

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S8474

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LF3

>  <Synonyms> (341)
N/A

>  <Target> (341)
Wnt/beta-catenin

>  <Form> (341)
Free Base

>  <CAS> (341)
664969-54-4

>  <URL> (341)
http://www.selleckchem.com/products/lf3.html

$$$$
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csChFnd80/08142015502D

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3411

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C24H27NO5S

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441.53988

>  <Cat> (342)
S8432

>  <Name> (342)
Troglitazone (CS-045)

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Rezulin, Romglizone, Prelay, CS-045, CS045, CS 045, Romozin

>  <Target> (342)
PPAR

>  <Form> (342)
Free Base

>  <CAS> (342)
97322-87-7

>  <URL> (342)
http://www.selleckchem.com/products/troglitazone-cs-045.html

$$$$
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>  <Mol_ID> (343)
3413

>  <Formula> (343)
C19H16FN5O2

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365.3610432

>  <Cat> (343)
S8489

>  <Name> (343)
GSK180736A

>  <Synonyms> (343)
N/A

>  <Target> (343)
ROCK

>  <Form> (343)
Free Base

>  <CAS> (343)
817194-38-0

>  <URL> (343)
http://www.selleckchem.com/products/gsk180736a.html

$$$$
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Histone Methyltransferase

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trihydrochloride

>  <CAS> (344)
1392399-03-9

>  <URL> (344)
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N/A

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PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (345)
free base

>  <CAS> (345)
1282514-88-8

>  <URL> (345)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

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Amcasertib (BBI503)

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Nanog

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free base

>  <CAS> (346)
1129403-56-0

>  <URL> (346)
http://www.selleckchem.com/products/amcasertib-bbi503.html

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1174428-47-7

>  <URL> (347)
http://www.selleckchem.com/products/sf2523.html

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M  END
>  <Mol_ID> (348)
3453

>  <Formula> (348)
C30H24N8O2

>  <MolWeight> (348)
528.56396

>  <Cat> (348)
S8330

>  <Name> (348)
IPI-549

>  <Synonyms> (348)
N/A

>  <Target> (348)
PI3K¦Ã

>  <CAS> (348)
1693758-51-8

>  <URL> (348)
http://www.selleckchem.com/products/ipi-549.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/08142015502D

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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (349)
3465

>  <Formula> (349)
C19H17N5O3

>  <MolWeight> (349)
363.36998

>  <Cat> (349)
S8581

>  <Name> (349)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (349)
N/A

>  <Target> (349)
PI3K¦Á 

>  <Form> (349)
Free base

>  <CAS> (349)
1268454-23-4

>  <URL> (349)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
HJC0152.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (350)
3469

>  <Formula> (350)
C15H14Cl3N3O4

>  <MolWeight> (350)
406.64836

>  <Cat> (350)
S8561

>  <Name> (350)
HJC0152

>  <Synonyms> (350)
N/A

>  <Target> (350)
STAT3

>  <Form> (350)
hydrochloride

>  <CAS> (350)
1420290-99-8

>  <URL> (350)
http://www.selleckchem.com/products/hjc0152.html

$$$$
Autophinib.cdx
csChFnd80/08142015502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (351)
3470

>  <Formula> (351)
C14H11ClN6O3

>  <MolWeight> (351)
346.72854

>  <Cat> (351)
S8596

>  <Name> (351)
Autophinib

>  <Synonyms> (351)
N/A

>  <Target> (351)
autophagy

>  <Form> (351)
free base

>  <CAS> (351)
1644443-47-9

>  <URL> (351)
http://www.selleckchem.com/products/autophinib.html

$$$$
LW 6.cdx
csChFnd80/08142015502D

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HIF-1¦Á

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free base

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934593-90-5

>  <URL> (352)
http://www.selleckchem.com/products/lw-6.html

$$$$
LY3214996.cdx
csChFnd80/08142015502D

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ERK1,ERK2

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free base

>  <CAS> (353)
1951483-29-6

>  <URL> (353)
http://www.selleckchem.com/products/ly3214996.html

$$$$
S3620 ¦Â-Glycerophosphate (sodium salt hydrate).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (354)
3493

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C3H17Na2O11P

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>  <Cat> (354)
S3620

>  <Name> (354)
¦Â-Glycerophosphate sodium salt hydrate

>  <Synonyms> (354)
N/A

>  <Target> (354)
phosphotase

>  <Form> (354)
sodium salt hydrate

>  <CAS> (354)
13408-09-8

>  <URL> (354)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/08142015502D

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Reparixin (Repertaxin)

>  <Synonyms> (355)
N/A

>  <Target> (355)
CXCR1,CXCR2,CXCL8

>  <Form> (355)
free base

>  <CAS> (355)
266359-83-5

>  <URL> (355)
http://www.selleckchem.com/products/reparixin-repertaxin.html

$$$$
LYN-1604.cdx
csChFnd80/08142015502D

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free base

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1243245-18-2

>  <URL> (357)
http://www.selleckchem.com/products/gnf-6231.html

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free base

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901751-47-1

>  <URL> (358)
http://www.selleckchem.com/products/icrt3.html

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C188-9.cdx
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   15.3880    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7403    1.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7302    2.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3679    3.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0156    4.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0784    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 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  9  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
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 23 24  1  0  0  0  0
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 26 15  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 19  1  0  0  0  0
  7 32  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (361)
3551

>  <Formula> (361)
C23H27N3O5S2

>  <MolWeight> (361)
489.60758

>  <Cat> (361)
S8661

>  <Name> (361)
CA3

>  <Synonyms> (361)
N/A

>  <Target> (361)
YAP/TEAD interaction

>  <Form> (361)
free base

>  <CAS> (361)
300802-28-2

>  <URL> (361)
http://www.selleckchem.com/products/ca3.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/08142015502D

 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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    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
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  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (362)
3579

>  <Formula> (362)
C6H6Na3O9P

>  <MolWeight> (362)
322.049511

>  <Cat> (362)
S5115

>  <Name> (362)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (362)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (362)
Others

>  <Form> (362)
sodium salt

>  <CAS> (362)
66170-10-3

>  <URL> (362)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/08142015502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    8.6061    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (363)
3582

>  <Formula> (363)
C15H19N5O

>  <MolWeight> (363)
285.34426

>  <Cat> (363)
S8538

>  <Name> (363)
PF-06651600

>  <Synonyms> (363)
N/A

>  <Target> (363)
JAK3 

>  <Form> (363)
free base

>  <CAS> (363)
1792180-81-4

>  <URL> (363)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
NGP 555.cdx
csChFnd80/08142015502D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8205    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.9912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    0.5912    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.3078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    0.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7368    4.2218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9736    6.4746    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    6.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0659    5.1159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6353    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8124    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3819    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7742    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5971    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0277    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8506    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3436    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5590    0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1666    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 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  7  1  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  9  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (364)
3601

>  <Formula> (364)
C23H23FN4S

>  <MolWeight> (364)
406.5189232

>  <Cat> (364)
S8603

>  <Name> (364)
NGP 555

>  <Synonyms> (364)
N/A

>  <Target> (364)
¦Ã-secretase

>  <Form> (364)
free base

>  <CAS> (364)
1304630-27-0

>  <URL> (364)
http://www.selleckchem.com/products/npg-555.html

$$$$
2-D08.cdx
csChFnd80/08142015502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (365)
3608

>  <Formula> (365)
C15H10O5

>  <MolWeight> (365)
270.2369

>  <Cat> (365)
S8696

>  <Name> (365)
2-D08
2-D08

>  <Synonyms> (365)
2',3',4'-trihydroxy flavone

>  <Target> (365)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (365)
free base

>  <CAS> (365)
144707-18-6

>  <URL> (365)
http://selleckchem.com/products/2-d08.html

$$$$
IWP-O1.cdx
csChFnd80/08142015502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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    4.1435    5.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6239    4.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8322    4.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0404    4.1457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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IWP-O1

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Wnt/beta-catenin

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free base

>  <CAS> (366)
2074607-48-8

>  <URL> (366)
http://selleckchem.com/products/iwp-O1.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/08142015502D

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3685

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C23H18FN5O2

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S8672

>  <Name> (367)
Tenalisib (RP6530)

>  <Synonyms> (367)
N/A

>  <Target> (367)
PI3K

>  <Form> (367)
free base

>  <CAS> (367)
1639417-53-0

>  <URL> (367)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
AS1517499.cdx
csChFnd80/08142015502D

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3686

>  <Formula> (368)
C20H20ClN5O2

>  <MolWeight> (368)
397.8581

>  <Cat> (368)
S8685

>  <Name> (368)
AS1517499

>  <Synonyms> (368)
N/A

>  <Target> (368)
STAT

>  <Form> (368)
free base

>  <CAS> (368)
919486-40-1

>  <URL> (368)
http://selleckchem.com/products/as1517499.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (369)
3728

>  <Formula> (369)
C13H18N2O6

>  <MolWeight> (369)
298.29182

>  <Cat> (369)
S5060

>  <Name> (369)
 Metadoxine

>  <Synonyms> (369)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (369)
Others

>  <Form> (369)
salt

>  <CAS> (369)
74536-44-0

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

$$$$
bpV (HOpic).cdx
csChFnd80/08142015502D

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>  <Mol_ID> (370)
3823

>  <Formula> (370)
C6H4K2NO8V

>  <MolWeight> (370)
347.23596

>  <Cat> (370)
S8651

>  <Name> (370)
bpV (HOpic)

>  <Synonyms> (370)
Bisperoxovanadium(HOpic)

>  <Target> (370)
PTEN

>  <Form> (370)
potassium 

>  <CAS> (370)
722494-26-0

>  <URL> (370)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/08142015502D

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    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> (371)
3848

>  <Formula> (371)
C3H8NO6P

>  <MolWeight> (371)
185.072481

>  <Cat> (371)
S5137

>  <Name> (371)
O-Phospho-L-serine

>  <Synonyms> (371)
Dexfosfoserine

>  <Target> (371)
GluR

>  <Form> (371)
free base

>  <CAS> (371)
407-41-0

>  <URL> (371)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/08142015502D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 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
M  END
>  <Mol_ID> (372)
3888

>  <Formula> (372)
C22H42O2

>  <MolWeight> (372)
338.56768

>  <Cat> (372)
S5383

>  <Name> (372)
Erucic acid

>  <Synonyms> (372)
cis-13-docosenoic acid

>  <Target> (372)
Others

>  <Form> (372)
free base

>  <CAS> (372)
112-86-7

>  <URL> (372)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/08142015502D

 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> (373)
3913

>  <Formula> (373)
C8H6BrN

>  <MolWeight> (373)
196.04394

>  <Cat> (373)
S5439

>  <Name> (373)
5-Bromoindole

>  <Synonyms> (373)
N/A

>  <Target> (373)
GSK-3

>  <Form> (373)
free base

>  <CAS> (373)
10075-50-0

>  <URL> (373)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/08142015502D

 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
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7241    4.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9338    4.8373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3568    4.8031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    4.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    3.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    5.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    5.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7118    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1677    7.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2160    9.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    9.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1031    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
  4  7  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
  1  2  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 15 18  1  0  0  0  0
 13 37  1  1  0  0  0
 16 20  1  0  0  0  0
  6 38  1  1  0  0  0
 19 17  1  0  0  0  0
  2 39  1  1  0  0  0
 17 18  1  0  0  0  0
  1 40  1  6  0  0  0
 19 20  1  0  0  0  0
  4 41  1  6  0  0  0
  1  6  1  0  0  0  0
  3 42  1  6  0  0  0
  2  3  1  0  0  0  0
  9 43  1  6  0  0  0
  3  4  1  0  0  0  0
 10 44  1  6  0  0  0
  4  5  1  0  0  0  0
 20 45  1  6  0  0  0
 19 23  1  0  0  0  0
 23 46  1  6  0  0  0
 20 21  1  0  0  0  0
 28 47  1  6  0  0  0
 21 22  1  0  0  0  0
 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
 12 49  1  1  0  0  0
 23 24  1  0  0  0  0
 16 50  1  1  0  0  0
  5  6  1  0  0  0  0
 19 51  1  1  0  0  0
  8 13  1  0  0  0  0
 24 52  1  1  0  0  0
  9 10  1  0  0  0  0
 27 53  1  1  0  0  0
 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> (374)
3921

>  <Formula> (374)
C42H68O13

>  <MolWeight> (374)
780.98152

>  <Cat> (374)
S5454

>  <Name> (374)
Saikosaponin D

>  <Synonyms> (374)
N/A

>  <Target> (374)
ATPase

>  <Form> (374)
free base

>  <CAS> (374)
20874-52-6

>  <URL> (374)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/08142015502D

 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
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    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
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 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> (375)
3924

>  <Formula> (375)
C22H26O11

>  <MolWeight> (375)
466.43524

>  <Cat> (375)
S5457

>  <Name> (375)
Curculigoside

>  <Synonyms> (375)
Curculigoside A

>  <Target> (375)
Immunology & Inflammation related

>  <Form> (375)
free base

>  <CAS> (375)
85643-19-2

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

$$$$
S5464 Psoralidin.cdx
csChFnd80/08142015502D

 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
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   12.3787    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8884    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (376)
3931

>  <Formula> (376)
C20H16O5

>  <MolWeight> (376)
336.33804

>  <Cat> (376)
S5464

>  <Name> (376)
Psoralidin

>  <Synonyms> (376)
N/A

>  <Target> (376)
Estrogen/progestogen Receptor

>  <Form> (376)
free base

>  <CAS> (376)
18642-23-4

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

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/08142015502D

 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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  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> (377)
3948

>  <Formula> (377)
C14H8O9

>  <MolWeight> (377)
320.20792

>  <Cat> (377)
S5516

>  <Name> (377)
Ellagic Acid hydrate

>  <Synonyms> (377)
N/A

>  <Target> (377)
Casein Kinase

>  <Form> (377)
monohydrate 

>  <CAS> (377)
 314041-08-2

>  <URL> (377)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5521 Eosin Y Disodium Trihydrate.cdx
csChFnd80/08142015502D

 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> (378)
3952

>  <Formula> (378)
C20H6Br4Na2O5

>  <MolWeight> (378)
691.85418

>  <Cat> (378)
S5521

>  <Name> (378)
Eosin Y Disodium

>  <Synonyms> (378)
N/A

>  <Target> (378)
Others

>  <Form> (378)
disodium salt

>  <CAS> (378)
17372-87-1

>  <URL> (378)
http://selleckchem.com/products/eosin-y-disodium.html

$$$$
S5588 Creatine.cdx
csChFnd80/08142015502D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   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
    2.4249    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
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (379)
3996

>  <Formula> (379)
C4H9N3O2

>  <MolWeight> (379)
131.13316

>  <Cat> (379)
S5588

>  <Name> (379)
Creatine

>  <Synonyms> (379)
Methylguanidoacetic acid

>  <Target> (379)
Others

>  <Form> (379)
free base

>  <CAS> (379)
57-00-1

>  <URL> (379)
http://selleckchem.com/products/creatine.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/08142015502D

 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
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  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
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 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> (380)
4017

>  <Formula> (380)
C20H18O6

>  <MolWeight> (380)
354.35332

>  <Cat> (380)
S3934

>  <Name> (380)
Acetyl Resveratrol

>  <Synonyms> (380)
N/A

>  <Target> (380)
Sirt12

>  <Form> (380)
free base

>  <CAS> (380)
42206-94-0

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

$$$$
S5265 TBB.cdx
csChFnd80/08142015502D

 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> (381)
4031

>  <Formula> (381)
C6HBr4N3

>  <MolWeight> (381)
434.70824

>  <Cat> (381)
S5265

>  <Name> (381)
TBB

>  <Synonyms> (381)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (381)
Casein Kinase

>  <CAS> (381)
17374-26-4

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

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/08142015502D

 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> (382)
4127

>  <Formula> (382)
C8H8O3

>  <MolWeight> (382)
152.14732

>  <Cat> (382)
S9374

>  <Name> (382)
2',5'-Dihydroxyacetophenone

>  <CAS> (382)
490-78-8

$$$$
S9416 Triptonide.cdx
csChFnd80/08142015502D

 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> (383)
4153

>  <Formula> (383)
C20H22O6

>  <MolWeight> (383)
358.38508

>  <Cat> (383)
S9416

>  <Name> (383)
Triptonide

>  <Form> (383)
free base

>  <CAS> (383)
38647-11-9

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/08142015502D

 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> (384)
4167

>  <Formula> (384)
C22H34O3

>  <MolWeight> (384)
346.50356

>  <Cat> (384)
S9432

>  <Name> (384)
Ginkgolic Acid

>  <Form> (384)
free base

>  <CAS> (384)
22910-60-7

$$$$

csChFnd80/08142015502D

 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
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    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> (385)
4186

>  <Formula> (385)
C10H14N4O2

>  <MolWeight> (385)
222.24376

>  <Cat> (385)
S5836

>  <Name> (385)
IBMX

>  <Synonyms> (385)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (385)
PDE

>  <Form> (385)
Free Base

>  <CAS> (385)
28822-58-4

>  <URL> (385)
http://www.selleckchem.com/products/ibmx.html

$$$$

csChFnd80/08142015502D

 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> (386)
4213

>  <Formula> (386)
C6H6Br6

>  <MolWeight> (386)
557.53584

>  <Cat> (386)
S5902

>  <Name> (386)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (386)
NSC7908

>  <Target> (386)
JAK

>  <Form> (386)
Free Base

>  <CAS> (386)
1837-91-8

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

$$$$

csChFnd80/08142015502D

 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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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 10 15  1  0  0  0  0
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 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> (387)
4214

>  <Formula> (387)
C16H15N3O3

>  <MolWeight> (387)
297.3086

>  <Cat> (387)
S5903

>  <Name> (387)
JANEX-1

>  <Synonyms> (387)
WHI-P131

>  <Target> (387)
JAK

>  <Form> (387)
Free Base

>  <CAS> (387)
202475-60-3

>  <URL> (387)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/08142015502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 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
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  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> (388)
4215

>  <Formula> (388)
C16H13Br2N3O3

>  <MolWeight> (388)
455.10072

>  <Cat> (388)
S5904

>  <Name> (388)
WHI-P97

>  <Synonyms> (388)
N/A

>  <Target> (388)
JAK

>  <Form> (388)
Free Base

>  <CAS> (388)
211555-05-4

>  <URL> (388)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/08142015502D

 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
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  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
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 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> (389)
4224

>  <Formula> (389)
C15H12N2O

>  <MolWeight> (389)
236.26858

>  <Cat> (389)
S5915

>  <Name> (389)
OAC2

>  <Synonyms> (389)
N/A

>  <Target> (389)
Others

>  <Form> (389)
Free Base

>  <CAS> (389)
6019-39-2

>  <URL> (389)
http://www.selleckchem.com/products/oac2.html

$$$$

csChFnd80/08142015502D

 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
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    6.9082    7.4407    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
  1  3  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
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M  END
>  <Mol_ID> (390)
4226

>  <Formula> (390)
C22H23N5O2

>  <MolWeight> (390)
389.45032

>  <Cat> (390)
S5917

>  <Name> (390)
Solcitinib

>  <Synonyms> (390)
GLPG0778, GSK2586184

>  <Target> (390)
JAK

>  <Form> (390)
Free Base

>  <CAS> (390)
1206163-45-2

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

$$$$

csChFnd80/08142015502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   13.6673    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  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
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 11 15  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 24  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (391)
4228

>  <Formula> (391)
C18H22ClN5S

>  <MolWeight> (391)
375.91878

>  <Cat> (391)
S5919

>  <Name> (391)
KHS101 hydrochloride

>  <Synonyms> (391)
N/A

>  <Target> (391)
Microtubule Associat

>  <Form> (391)
hydrochloride

>  <CAS> (391)
1784282-12-7

>  <URL> (391)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/08142015502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (392)
4245

>  <Formula> (392)
C16H11Cl2FO2

>  <MolWeight> (392)
325.1617432

>  <Cat> (392)
S7323

>  <Name> (392)
CHF 5074

>  <Synonyms> (392)
N/A

>  <Target> (392)
Gamma-secretase

>  <Form> (392)
Free Base

>  <CAS> (392)
749269-83-8

>  <URL> (392)
http://www.selleckchem.com/products/chf-5074.html

$$$$

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>  <Mol_ID> (393)
4251

>  <Formula> (393)
C23H14ClF3N6O

>  <MolWeight> (393)
482.8450696

>  <Cat> (393)
S8560

>  <Name> (393)
Seletalisib (UCB-5857)

>  <Synonyms> (393)
N/A

>  <Target> (393)
PI3K

>  <Form> (393)
Free Base

>  <CAS> (393)
1362850-20-1

>  <URL> (393)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/08142015502D

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>  <Mol_ID> (394)
4265

>  <Formula> (394)
C17H20F3N7O2

>  <MolWeight> (394)
411.3816096

>  <Cat> (394)
S8738

>  <Name> (394)
Bimiralisib (PQR309)

>  <Synonyms> (394)
N/A

>  <Target> (394)
PI3K

>  <Form> (394)
Free Base

>  <CAS> (394)
1225037-39-7

>  <URL> (394)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/08142015502D

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4271

>  <Formula> (395)
C21H25F3N6O2

>  <MolWeight> (395)
450.4574096

>  <Cat> (395)
S8752

>  <Name> (395)
leniolisib(CDZ 173)

>  <Synonyms> (395)
N/A

>  <Target> (395)
PI3K

>  <Form> (395)
Free Base

>  <CAS> (395)
1354690-24-6

>  <URL> (395)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/08142015502D

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M  END
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4276

>  <Formula> (396)
C29H24FN7O

>  <MolWeight> (396)
505.5455632

>  <Cat> (396)
S8761

>  <Name> (396)
Adavivint (SM04690)

>  <Synonyms> (396)
N/A

>  <Target> (396)
Wnt/beta-catenin

>  <Form> (396)
Free Base

>  <CAS> (396)
1467093-03-3

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

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (397)
4286

>  <Formula> (397)
C29H39NO9

>  <MolWeight> (397)
545.62126

>  <Cat> (397)
S9015

>  <Name> (397)
Homoharringtonine

>  <CAS> (397)
26833-87-4

$$$$
S9100 Fraxinellone.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (398)
4348

>  <Formula> (398)
C14H16O3

>  <MolWeight> (398)
232.27504

>  <Cat> (398)
S9100

>  <Name> (398)
Fraxinellone

>  <Form> (398)
free base

>  <CAS> (398)
28808-62-0

$$$$
S9102 Magnolin.cdx
csChFnd80/08142015502D

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M  END
>  <Mol_ID> (399)
4350

>  <Formula> (399)
C23H28O7

>  <MolWeight> (399)
416.46422

>  <Cat> (399)
S9102

>  <Name> (399)
Magnolin

>  <CAS> (399)
31008-18-1

$$$$
S9190 Oroxin B.cdx
csChFnd80/08142015502D

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 25 29  1  1  0  0  0
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 26 31  1  0  0  0  0
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4420

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C27H30O15

>  <MolWeight> (400)
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>  <Cat> (400)
S9190

>  <Name> (400)
Oroxin B

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free base

>  <CAS> (400)
114482-86-9

$$$$

csChFnd80/08142015502D

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4440

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C16H11N3O2

>  <MolWeight> (401)
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S2009

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Indirubin-3'-monoxime

>  <Synonyms> (401)
Indirubin-3'-oxime

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CDK

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Free Base

>  <CAS> (401)
160807-49-8

>  <URL> (401)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/08142015502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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355.45394

>  <Cat> (402)
S2070

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ISCK03

>  <Synonyms> (402)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (402)
c-Kit

>  <Form> (402)
Free Base

>  <CAS> (402)
945526-43-2

>  <URL> (402)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/08142015502D

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>  <Mol_ID> (403)
4492

>  <Formula> (403)
C19H18O8

>  <MolWeight> (403)
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>  <Cat> (403)
S9288

>  <Name> (403)
Casticin

>  <Form> (403)
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>  <CAS> (403)
479-91-4

$$$$

csChFnd80/08142015502D

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>  <Mol_ID> (404)
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>  <Formula> (404)
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>  <MolWeight> (404)
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>  <Cat> (404)
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>  <Name> (404)
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>  <Synonyms> (404)
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>  <Target> (404)
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>  <CAS> (404)
85371-64-8

>  <URL> (404)
http://www.selleckchem.com/products/pinacidil.html

$$$$

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 13  7  1  0  0  0  0
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 39 40  2  0  0  0  0
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 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (405)
4730

>  <Formula> (405)
C29H37N7O5S

>  <MolWeight> (405)
595.71298

>  <Cat> (405)
S5078

>  <Name> (405)
Osimertinib mesylate

>  <Synonyms> (405)
AZD9291 mesylate

>  <Target> (405)
EGFR

>  <Form> (405)
mesylate

>  <CAS> (405)
1421373-66-1

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

$$$$

csChFnd80/08142015502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  8  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (406)
4815

>  <Formula> (406)
C17H13N3O2

>  <MolWeight> (406)
291.30402

>  <Cat> (406)
S5772

>  <Name> (406)
AS-8351

>  <Synonyms> (406)
N/A

>  <Target> (406)
Histone Demethylase

>  <Form> (406)
Free Base

>  <CAS> (406)
796-42-9

>  <URL> (406)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/08142015502D

 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> (407)
4827

>  <Formula> (407)
C16H17BrN2S

>  <MolWeight> (407)
349.28858

>  <Cat> (407)
S5791

>  <Name> (407)
Cyclic Pifithrin-¦Á hydrobromide 

>  <Synonyms> (407)
N/A

>  <Target> (407)
p53

>  <Form> (407)
hydrobromide 

>  <CAS> (407)
511296-88-1

>  <URL> (407)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/08142015502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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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
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M  END
>  <Mol_ID> (408)
4845

>  <Formula> (408)
C18H19F3N2O4S2

>  <MolWeight> (408)
448.4796696

>  <Cat> (408)
S5815

>  <Name> (408)
WAY-316606

>  <Synonyms> (408)
N/A

>  <Target> (408)
Wnt/beta-catenin

>  <Form> (408)
Free Base

>  <CAS> (408)
915759-45-4

>  <URL> (408)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/08142015502D

 87 96  0  0  0  0  0  0  0  0999 V2000
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>  <URL> (409)
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C21H16FN7O

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acalisib (GS-9820)

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PI3K

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870281-34-8

>  <URL> (410)
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N/A

>  <Target> (411)
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>  <Form> (411)
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>  <CAS> (411)
1898283-02-7

>  <URL> (411)
http://www.selleckchem.com/products/ly3200882.html

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    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (417)
5278

>  <Formula> (417)
C13H8Cl2N2O4

>  <MolWeight> (417)
327.11962

>  <Cat> (417)
S3030

>  <Name> (417)
Niclosamide

>  <Synonyms> (417)
Niclocide

>  <Target> (417)
STAT

>  <Form> (417)
Free Base

>  <CAS> (417)
50-65-7

>  <URL> (417)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/08142015502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 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
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 27 22  1  0  0  0  0
 23 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (418)
5321

>  <Formula> (418)
C23H26N6O2

>  <MolWeight> (418)
418.49154

>  <Cat> (418)
S6414

>  <Name> (418)
Apilimod

>  <Synonyms> (418)
STA-5326

>  <Target> (418)
PI3K

>  <Form> (418)
Free Base

>  <CAS> (418)
541550-19-0

>  <URL> (418)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/08142015502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (419)
5386

>  <Formula> (419)
C19H18N4O3

>  <MolWeight> (419)
350.37122

>  <Cat> (419)
S8684

>  <Name> (419)
Selective JAK3 inhibitor 1

>  <Synonyms> (419)
N/A

>  <Target> (419)
JAK

>  <Form> (419)
Free Base

>  <CAS> (419)
1443235-95-7

>  <URL> (419)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/08142015502D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (420)
5387

>  <Formula> (420)
C23H20FN7O

>  <MolWeight> (420)
429.4496032

>  <Cat> (420)
S8693

>  <Name> (420)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (420)
N/A

>  <Target> (420)
PI3K

>  <Form> (420)
Free Base

>  <CAS> (420)
2088525-31-7

>  <URL> (420)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/08142015502D

 50 56  0  0  0  0  0  0  0  0999 V2000
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   18.1730    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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935666-88-9

>  <URL> (422)
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free base

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333745-53-2

>  <URL> (423)
http://www.selleck.cn/products/lx2343.html

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    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    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  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (425)
6685

>  <Formula> (425)
C16H15N3O2

>  <MolWeight> (425)
281.3092

>  <Cat> (425)
S6521

>  <Name> (425)
WHI-P258

>  <Synonyms> (425)
N/A

>  <Target> (425)
JAK

>  <Form> (425)
free base

>  <CAS> (425)
21561-09-1

>  <URL> (425)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/08142015502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6552    6.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0801    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2926    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    8.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2273    3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2390    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5677    7.2746    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
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
  4 14  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
  1 20  1  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (426)
6688

>  <Formula> (426)
C23H24N2O

>  <MolWeight> (426)
344.44946

>  <Cat> (426)
S6524

>  <Name> (426)
NSC 42834

>  <Synonyms> (426)
JAK2 Inhibitor V

>  <Target> (426)
JAK

>  <Form> (426)
free base

>  <CAS> (426)
195371-52-9

>  <URL> (426)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/08142015502D

 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
  1  4  2  0  0  0  0
  1  5  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 11  1  0  0  0  0
 11 12  2  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
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 13 16  1  0  0  0  0
  6 11  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (427)
6695

>  <Formula> (427)
C16H14N2O2S2

>  <MolWeight> (427)
330.42456

>  <Cat> (427)
S6536

>  <Name> (427)
TTP 22

>  <Synonyms> (427)
N/A

>  <Target> (427)
Casein Kinase

>  <Form> (427)
free base

>  <CAS> (427)
329907-28-0

>  <URL> (427)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/08142015502D

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    1.2123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875    0.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9125    1.9123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    2.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
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 12 21  2  0  0  0  0
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 27 28  1  0  0  0  0
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 25 30  1  0  0  0  0
 15 22  1  0  0  0  0
  9 18  1  0  0  0  0
  6 31  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (428)
6698

>  <Formula> (428)
C20H14Cl2FN5O2S

>  <MolWeight> (428)
478.3268632

>  <Cat> (428)
S6541

>  <Name> (428)
MTX-211

>  <Synonyms> (428)
N/A

>  <Target> (428)
EGFR

>  <Form> (428)
free base

>  <CAS> (428)
1952236-05-3

>  <URL> (428)
http://www.selleck.cn/products/mtx-211.html

$$$$

csChFnd80/08142015502D

 35 40  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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 31 34  1  0  0  0  0
 30 35  1  0  0  0  0
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M  END
>  <Mol_ID> (429)
6700

>  <Formula> (429)
C23H19F3N8O

>  <MolWeight> (429)
480.4451696

>  <Cat> (429)
S6544

>  <Name> (429)
SR-3029

>  <Synonyms> (429)
N/A

>  <Target> (429)
Casein Kinase

>  <Form> (429)
free base

>  <CAS> (429)
1454585-06-8

>  <URL> (429)
http://www.selleck.cn/products/sr-3029.html

$$$$

csChFnd80/08142015502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    2.4491    4.6611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2430    2.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935    5.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4491    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4386    1.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4490    2.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4093    0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5853    1.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8656    2.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9963    1.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2766    2.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5  9  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
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 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> (430)
6708

>  <Formula> (430)
C19H18N4OS

>  <MolWeight> (430)
350.43742

>  <Cat> (430)
S6565

>  <Name> (430)
JK184

>  <Synonyms> (430)
N/A

>  <Target> (430)
Hedgehog/Smoothened

>  <Form> (430)
free base

>  <CAS> (430)
315703-52-7

>  <URL> (430)
http://www.selleck.cn/products/jk184.html

$$$$

csChFnd80/08142015502D

 20 20  0  0  0  0  0  0  0  0999 V2000
   12.1889    3.3400    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    8.4875    3.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698    4.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2466    1.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9195    3.2997    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.6348    0.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4115    2.6128    0.0000 C   0  0  0  0  0  0  0  0  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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 14 15  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (431)
6709

>  <Formula> (431)
C13H16NNaO4S

>  <MolWeight> (431)
305.32521

>  <Cat> (431)
S6566

>  <Name> (431)
NSC23005 Sodium

>  <Synonyms> (431)
N/A

>  <Target> (431)
Others

>  <Form> (431)
Sodium

>  <CAS> (431)
1796596-46-7

>  <URL> (431)
http://www.selleck.cn/products/nsc23005-sodium.html

$$$$

csChFnd80/08142015502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  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  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (432)
6712

>  <Formula> (432)
C19H20N4O3

>  <MolWeight> (432)
352.3871

>  <Cat> (432)
S6571

>  <Name> (432)
BQR695

>  <Synonyms> (432)
NVP-BQR695

>  <Target> (432)
PI4K

>  <Form> (432)
free base

>  <CAS> (432)
1513879-21-4

>  <URL> (432)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/08142015502D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9593    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2654    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7614    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8806    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
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (433)
6714

>  <Formula> (433)
C22H18ClN5O2

>  <MolWeight> (433)
419.86362

>  <Cat> (433)
S6574

>  <Name> (433)
KDU691

>  <Synonyms> (433)
N/A

>  <Target> (433)
PI4K

>  <Form> (433)
free base

>  <CAS> (433)
1513879-19-0

>  <URL> (433)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/08142015502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3132    0.7282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    1.8609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    4.1978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6542    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0750    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2833    3.4956    0.0000 F   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  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
  8 10  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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 18  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
>  <Mol_ID> (434)
6718

>  <Formula> (434)
C16H16F3N5

>  <MolWeight> (434)
335.3269496

>  <Cat> (434)
S6578

>  <Name> (434)
Longdaysin

>  <Synonyms> (434)
N/A

>  <Target> (434)
Casein Kinase

>  <Form> (434)
free base

>  <CAS> (434)
1353867-91-0

>  <URL> (434)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/08142015502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  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  1  0  0  0  0
  9 10  1  0  0  0  0
 11  7  1  0  0  0  0
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 11 13  2  0  0  0  0
 11 10  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 16 20  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (435)
6735

>  <Formula> (435)
C21H17N3O2S

>  <MolWeight> (435)
375.44358

>  <Cat> (435)
S8704

>  <Name> (435)
iCRT14

>  <Synonyms> (435)
N/A

>  <Target> (435)
Wnt/beta-catenin

>  <Form> (435)
free base

>  <CAS> (435)
677331-12-3

>  <URL> (435)
http://www.selleck.cn/products/icrt14.html

$$$$

csChFnd80/08142015502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (436)
6750

>  <Formula> (436)
C22H25NO3

>  <MolWeight> (436)
351.4388

>  <Cat> (436)
S2933

>  <Name> (436)
AM580

>  <Synonyms> (436)
N/A

>  <Target> (436)
Retinoid Receptor

>  <Form> (436)
Free Base

>  <CAS> (436)
102121-60-8

>  <URL> (436)
http://www.selleck.cn/products/am580.html

$$$$

csChFnd80/08142015502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
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 15 20  1  0  0  0  0
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 11 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
  5 29  2  0  0  0  0
M  END
>  <Mol_ID> (437)
6785

>  <Formula> (437)
C19H17N7O3

>  <MolWeight> (437)
391.38338

>  <Cat> (437)
S6616

>  <Name> (437)
ETC-159

>  <Synonyms> (437)
ETC-1922159

>  <Target> (437)
Wnt/beta-catenin

>  <Form> (437)
Free Base

>  <CAS> (437)
1638250-96-0

>  <URL> (437)
http://www.selleck.cn/products/etc-159.html

$$$$

csChFnd80/08142015502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 17 21  1  0  0  0  0
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M  END
>  <Mol_ID> (438)
6786

>  <Formula> (438)
C16H16N6

>  <MolWeight> (438)
292.33844

>  <Cat> (438)
S6617

>  <Name> (438)
MSX-122

>  <Synonyms> (438)
N/A

>  <Target> (438)
CXCR

>  <Form> (438)
Free Base

>  <CAS> (438)
897657-95-3

>  <URL> (438)
http://www.selleck.cn/products/msx-122.html

$$$$

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N/A

>  <Target> (439)
CXCR

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Free Base

>  <CAS> (439)
954126-98-8

>  <URL> (439)
http://www.selleck.cn/products/danirixin.html

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6799

>  <Formula> (440)
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>  <MolWeight> (440)
402.7852264

>  <Cat> (440)
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>  <Synonyms> (440)
N/A

>  <Target> (440)
ROCK

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Free Base

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867017-68-3

>  <URL> (440)
http://www.selleck.cn/products/azaindole-1.html

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csChFnd80/08142015502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 18  7  1  0  0  0  0
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6804

>  <Formula> (441)
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>  <MolWeight> (441)
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>  <Cat> (441)
S6645

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

>  <Target> (441)
CXCR

>  <Form> (441)
Free Base

>  <CAS> (441)
878385-84-3

>  <URL> (441)
http://www.selleck.cn/products/azd-5069.html

$$$$

csChFnd80/08142015502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (442)
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>  <MolWeight> (442)
415.52406

>  <Cat> (442)
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>  <Synonyms> (442)
N/A

>  <Target> (442)
TGF-beta/Smad

>  <Form> (442)
Free Base

>  <CAS> (442)
1099644-42-4

>  <URL> (442)
http://www.selleck.cn/products/itd-1.html

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csChFnd80/08142015502D

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N/A

>  <Target> (443)
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Free Base

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950912-80-8

>  <URL> (443)
http://www.selleck.cn/products/pf-670462.html

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csChFnd80/08142015502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
M  END
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N/A

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Wnt/beta-catenin

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Free Base

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664993-53-7

>  <URL> (444)
http://www.selleck.cn/products/jw55.html

$$$$

csChFnd80/08142015502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
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6850

>  <Formula> (445)
C21H23N3O5

>  <MolWeight> (445)
397.42442

>  <Cat> (445)
S8506

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>  <Synonyms> (445)
N/A

>  <Target> (445)
CXCR

>  <Form> (445)
Free Base

>  <CAS> (445)
473727-83-2

>  <URL> (445)
http://www.selleck.cn/products/sch-527123.html

$$$$

csChFnd80/08142015502D

 45 51  0  0  0  0  0  0  0  0999 V2000
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C36H32N6O3

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N/A

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Akt

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Free Base

>  <CAS> (446)
1800070-77-2

>  <URL> (446)
http://www.selleck.cn/products/borussertib.html

$$$$

csChFnd80/08142015502D

 39 43  0  0  0  0  0  0  0  0999 V2000
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1315355-93-1

>  <URL> (447)
http://www.selleck.cn/products/ng25.html

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TGF-beta/Smad

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>  <CAS> (448)
334951-90-5

>  <URL> (448)
http://www.selleck.cn/products/bibf-0775.html

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>  <Synonyms> (449)
N/A

>  <Target> (449)
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Free Base

>  <CAS> (449)
1188296-52-7

>  <URL> (449)
http://www.selleck.cn/products/pf-4800567.html

$$$$

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Free Base

>  <CAS> (450)
1629138-41-5

>  <URL> (450)
http://www.selleck.cn/products/sri-011381.html

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Free Base

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1922098-69-8

>  <URL> (451)
http://www.selleck.cn/products/ccg-222740.html

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>  <Formula> (452)
C23H21N5O

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>  <Synonyms> (452)
N/A

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Akt

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Free Base

>  <CAS> (452)
1402608-02-9

>  <URL> (452)
http://www.selleck.cn/products/bay1125976.html

$$$$

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C33H40O18

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724.6599

>  <Cat> (453)
S9096

>  <Name> (453)
ligustroflavone

>  <Synonyms> (453)
Nuezhenoside

>  <Target> (453)
AMPK

>  <Form> (453)
Free Base

>  <CAS> (453)
260413-62-5

>  <URL> (453)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/08142015502D

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6942

>  <Formula> (454)
C17H15NO3

>  <MolWeight> (454)
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>  <Cat> (454)
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>  <Name> (454)
Indoprofen

>  <Synonyms> (454)
N/A

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>  <Form> (454)
Free Base

>  <CAS> (454)
31842-01-0

>  <URL> (454)
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 12 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  1  0  0  0  0
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M  END
>  <Mol_ID> (455)
6977

>  <Formula> (455)
C16H19Cl2N3O4S

>  <MolWeight> (455)
420.31076

>  <Cat> (455)
S8900

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SR18662 

>  <Synonyms> (455)
N/A

>  <Target> (455)
KLF

>  <Form> (455)
Free Base

>  <CAS> (455)
no cas

>  <URL> (455)
http://www.selleckchem.com/products/sr18662.html

$$$$

csChFnd80/08142015502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 26  2  0  0  0  0
 11 26  1  0  0  0  0
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 13 21  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 24  1  0  0  0  0
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 21 25  2  0  0  0  0
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 23  7  1  0  0  0  0
M  END
>  <Mol_ID> (456)
6978

>  <Formula> (456)
C16H14Cl2N8O

>  <MolWeight> (456)
405.24136

>  <Cat> (456)
S8903

>  <Name> (456)
AS2863619

>  <Synonyms> (456)
N/A

>  <Target> (456)
CDK

>  <Form> (456)
Free Base

>  <CAS> (456)
2241300-51-4

>  <URL> (456)
http://www.selleckchem.com/products/as2863619.html

$$$$

csChFnd80/08142015502D

 32 34  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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  8  9  1  0  0  0  0
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  4  7  1  0  0  0  0
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  2 12  1  0  0  0  0
 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (457)
6983

>  <Formula> (457)
C19H14BF4N3O4S

>  <MolWeight> (457)
467.2017728

>  <Cat> (457)
S8947

>  <Name> (457)
SX-682

>  <Synonyms> (457)
N/A

>  <Target> (457)
CXCR

>  <Form> (457)
Free Base

>  <CAS> (457)
1648843-04-2

>  <URL> (457)
http://www.selleckchem.com/products/sx-682.html

$$$$

csChFnd80/08142015502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (458)
6984

>  <Formula> (458)
C15H11ClF3NO

>  <MolWeight> (458)
313.7021496

>  <Cat> (458)
S8951

>  <Name> (458)
TED-347

>  <Synonyms> (458)
N/A

>  <Target> (458)
Hippo pathway

>  <Form> (458)
Free Base

>  <CAS> (458)
2378626-29-8

>  <URL> (458)
http://www.selleckchem.com/products/ted-347.html

$$$$

csChFnd80/08142015502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (459)
6997

>  <Formula> (459)
C20H13FN4O2

>  <MolWeight> (459)
360.3412232

>  <Cat> (459)
S5183

>  <Name> (459)
PD 169316

>  <Synonyms> (459)
N/A

>  <Target> (459)
p38 MAPK

>  <Form> (459)
Free Base

>  <CAS> (459)
152121-53-4

>  <URL> (459)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/08142015502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  7  9  2  0  0  0  0
  8 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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (460)
7011

>  <Formula> (460)
C16H11N3O3

>  <MolWeight> (460)
293.27684

>  <Cat> (460)
S6784

>  <Name> (460)
STAT5-IN-1

>  <Synonyms> (460)
N/A

>  <Target> (460)
STAT

>  <Form> (460)
Free Base

>  <CAS> (460)
285986-31-4

>  <URL> (460)
http://www.selleckchem.com/products/stat-in-1.html

$$$$

csChFnd80/08142015502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7834    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1531    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    2.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689    4.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  2  0  0  0  0
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  9 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 21  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (461)
7013

>  <Formula> (461)
C17H11BrFN3O2

>  <MolWeight> (461)
388.1905432

>  <Cat> (461)
S6786

>  <Name> (461)
ERK5-IN-2

>  <Synonyms> (461)
N/A

>  <Target> (461)
ERK

>  <Form> (461)
Free Base

>  <CAS> (461)
1888305-96-1

>  <URL> (461)
http://www.selleckchem.com/products/erk5-in-2.html

$$$$

csChFnd80/08142015502D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.8455    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9699    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3947    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 17  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
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 25 28  1  0  0  0  0
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 18 19  1  0  0  0  0
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 15 32  1  0  0  0  0
 11 14  1  0  0  0  0
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 10 33  1  0  0  0  0
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 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (462)
7066

>  <Formula> (462)
C26H34N6O3S

>  <MolWeight> (462)
510.65156

>  <Cat> (462)
S0391

>  <Name> (462)
TG-89

>  <Synonyms> (462)
N/A

>  <Target> (462)
JAK

>  <Form> (462)
Free Base

>  <CAS> (462)
936091-56-4

>  <URL> (462)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/08142015502D

 18 20  0  0  0  0  0  0  0  0999 V2000
   12.2792    1.2124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    3.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (463)
7076

>  <Formula> (463)
C14H10BrNOS

>  <MolWeight> (463)
320.2043

>  <Cat> (463)
S0523

>  <Name> (463)
SB?4

>  <Synonyms> (463)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (463)
TGF-beta/Smad

>  <Form> (463)
Free Base

>  <CAS> (463)
100874-08-6

>  <URL> (463)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/08142015502D

 12 11  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
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 S   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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (464)
7083

>  <Formula> (464)
C6H12N2S4

>  <MolWeight> (464)
240.43288

>  <Cat> (464)
S2431

>  <Name> (464)
Tetramethylthiuram disulfide

>  <Synonyms> (464)
Tetramethyl thiuram disulfide, Bis (dimethyldithiocarbamoyl) disulfide, Thiram, Thiuram

>  <Target> (464)
HIF

>  <Form> (464)
Free Base

>  <CAS> (464)
137-26-8

>  <URL> (464)
http://www.selleckchem.com/products/tetramethylthiuram-disulfide.html

$$$$
