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Bortezomib (Velcade)

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MG-341, PS-341

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Proteasome

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Free Base

>  <CAS> (1)
179324-69-7

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

$$$$
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csChFnd80/01192109392D

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>  <Name> (2)
Bosutinib (SKI-606)

>  <Synonyms> (2)
N/A 

>  <Target> (2)
Src

>  <Form> (2)
Free Base

>  <CAS> (2)
380843-75-4

>  <URL> (2)
http://www.selleckchem.com/products/Bosutinib.html

$$$$
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>  <Mol_ID> (3)
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>  <Name> (3)
Imatinib Mesylate (STI571)

>  <Synonyms> (3)
CGP-57148B, ST-1571 Mesylate

>  <Target> (3)
PDGFR, c-Kit, Bcr-Abl

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Mesylate

>  <CAS> (3)
220127-57-1

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

$$$$
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M  END
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C16H14F3IN2O4

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N/A

>  <Target> (4)
MEK 

>  <Form> (4)
Free Base

>  <CAS> (4)
391210-10-9

>  <URL> (4)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
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>  <Mol_ID> (5)
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>  <Formula> (5)
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>  <MolWeight> (5)
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>  <Name> (5)
PI-103

>  <Synonyms> (5)
N/A

>  <Target> (5)
DNA-PK, PI3K, mTOR

>  <Form> (5)
Free Base

>  <CAS> (5)
371935-74-9

>  <URL> (5)
http://www.selleckchem.com/products/PI-103.html

$$$$
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csChFnd80/01192109392D

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>  <Mol_ID> (6)
27

>  <Formula> (6)
C51H79NO13

>  <MolWeight> (6)
914.17186

>  <Cat> (6)
S1039

>  <Name> (6)
Rapamycin (Sirolimus)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
mTOR 

>  <Form> (6)
Free Base

>  <CAS> (6)
53123-88-9

>  <URL> (6)
http://www.selleckchem.com/products/Rapamycin.html

$$$$
vorinostat.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (7)
31

>  <Formula> (7)
C14H20N2O3

>  <MolWeight> (7)
264.3202

>  <Cat> (7)
S1047

>  <Name> (7)
Vorinostat (SAHA, MK0683)

>  <Synonyms> (7)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (7)
HDAC

>  <Form> (7)
Free Base

>  <CAS> (7)
149647-78-9

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

$$$$
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>  <Mol_ID> (8)
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C14H23Cl2N3O

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Y-27632 2HCl

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N/A

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ROCK

>  <Form> (8)
Dihydrochloride

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129830-38-2

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http://www.selleckchem.com/products/Y-27632.html

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C32H29N5O2

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Enzastaurin (LY317615)

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N/A 

>  <Target> (9)
PKC 

>  <Form> (9)
Free Base

>  <CAS> (9)
170364-57-5

>  <URL> (9)
http://www.selleckchem.com/products/Enzastaurin.html

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>  <Mol_ID> (10)
41

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C23H27N7O3S2

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PI3K 

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>  <CAS> (10)
957054-30-7

>  <URL> (10)
http://www.selleckchem.com/products/GDC-0941.html

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>  <Mol_ID> (11)
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TGF-beta/Smad

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301836-41-9

>  <URL> (11)
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GSK-3 

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280744-09-4

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http://www.selleckchem.com/products/SB-216763.html

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p38 MAPK 

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152121-47-6

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N/A

>  <Target> (15)
p38 MAPK 

>  <Form> (15)
Free Base

>  <CAS> (15)
152121-30-7

>  <URL> (15)
http://www.selleckchem.com/products/SB-202190.html

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Hedgehog, P-gp

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879085-55-9

>  <URL> (16)
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PI3K 

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Free Base

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154447-36-6

>  <URL> (17)
http://www.selleckchem.com/products/LY294002.html

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AT9283

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>  <Target> (18)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (18)
Free Base

>  <CAS> (18)
896466-04-9

>  <URL> (18)
http://www.selleckchem.com/products/AT9283.html

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>  <Synonyms> (19)
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>  <Target> (19)
HSP

>  <Form> (19)
Free Base

>  <CAS> (19)
75747-14-7

>  <URL> (19)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

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>  <Target> (20)
JAK, EGFR

>  <Form> (20)
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>  <CAS> (20)
133550-30-8 

>  <URL> (20)
http://www.selleckchem.com/products/AG-490.html

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M  END
>  <Mol_ID> (26)
137

>  <Formula> (26)
C28H28ClNO4S

>  <MolWeight> (26)
510.04422

>  <Cat> (26)
S1227

>  <Name> (26)
Evista (Raloxifene Hydrochloride)

>  <Synonyms> (26)
Raloxifene Hydrochloride, keoxifene

>  <Target> (26)
Estrogen/progestogen Receptor

>  <Form> (26)
Hydrochloride

>  <CAS> (26)
82640-04-8

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

$$$$
BMS-708163.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (27)
156

>  <Formula> (27)
C20H17ClF4N4O4S

>  <MolWeight> (27)
520.8849928

>  <Cat> (27)
S1262

>  <Name> (27)
BMS-708163 (Avagacestat)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Gamma-secretase

>  <Form> (27)
Free Base

>  <CAS> (27)
1146699-66-2

>  <URL> (27)
http://www.selleckchem.com/products/BMS-708163.html

$$$$
PD173074.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (28)
157

>  <Formula> (28)
C28H41N7O3

>  <MolWeight> (28)
523.67024

>  <Cat> (28)
S1264

>  <Name> (28)
PD173074

>  <Synonyms> (28)
N/A

>  <Target> (28)
FGFR, VEGFR

>  <Form> (28)
Free Base

>  <CAS> (28)
219580-11-7

>  <URL> (28)
http://www.selleckchem.com/products/PD-173074.html

$$$$
Nicotinamide.cdx
csChFnd80/01192109392D

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  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (29)
188

>  <Formula> (29)
C6H6N2O

>  <MolWeight> (29)
122.12464

>  <Cat> (29)
S1899

>  <Name> (29)
Nicotinamide (Vitamin B3)

>  <Synonyms> (29)
Niacinamide

>  <Target> (29)
Sirtuin

>  <Form> (29)
Free Base

>  <CAS> (29)
98-92-0

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

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (30)
221

>  <Formula> (30)
C17H19ClF3NO

>  <MolWeight> (30)
345.7870696

>  <Cat> (30)
S1333

>  <Name> (30)
Fluoxetine  HCl

>  <Synonyms> (30)
Prozac, Sarafem

>  <Target> (30)
5-HT Receptor

>  <Form> (30)
Hydrochloride

>  <CAS> (30)
56296-78-7

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

$$$$
Gatifloxacin.cdx
csChFnd80/01192109392D

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223

>  <Formula> (31)
C19H22FN3O4

>  <MolWeight> (31)
375.3940832

>  <Cat> (31)
S1340

>  <Name> (31)
Gatifloxacin

>  <Synonyms> (31)
AM-1155, CG5501, BMS-206584

>  <Target> (31)
Topoisomerase

>  <Form> (31)
Free Base

>  <CAS> (31)
112811-59-3

>  <URL> (31)
http://www.selleckchem.com/products/Gatifloxacin.html

$$$$
TG100-115.cdx
csChFnd80/01192109392D

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227

>  <Formula> (32)
C18H14N6O2

>  <MolWeight> (32)
346.34276

>  <Cat> (32)
S1352

>  <Name> (32)
TG100-115

>  <Synonyms> (32)
N/A

>  <Target> (32)
PI3K

>  <Form> (32)
Free Base

>  <CAS> (32)
677297-51-7

>  <URL> (32)
http://www.selleckchem.com/products/TG100-115.html

$$$$
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csChFnd80/01192109392D

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>  <Mol_ID> (33)
232

>  <Formula> (33)
C21H24NNaO8S

>  <MolWeight> (33)
473.47193

>  <Cat> (33)
S1362

>  <Name> (33)
Rigosertib (ON-01910)

>  <Synonyms> (33)
ON-01910

>  <Target> (33)
PLK

>  <Form> (33)
Sodium Salt

>  <CAS> (33)
1225497-78-8

>  <URL> (33)
http://www.selleckchem.com/products/ON-01910.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (34)
235

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C22H19Cl3N8

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S2924

>  <Name> (34)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (34)
N/A

>  <Target> (34)
PI3K/Akt/mTOR

>  <Form> (34)
Hydrochloride

>  <CAS> (34)
252917-06-9 (free base)

>  <URL> (34)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
resveratrol.cdx
csChFnd80/01192109392D

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Sirtuin

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Free Base

>  <CAS> (35)
501-36-0

>  <URL> (35)
http://www.selleckchem.com/products/Resveratrol.html

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Rolipram.cdx
csChFnd80/01192109392D

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Rolipram

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N/A

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PDE

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Free Base

>  <CAS> (36)
61413-54-5

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

$$$$
Thiazovivin.cdx
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285

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C15H13N5OS

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311.36162

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S1459

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Thiazovivin

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N/A

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ROCK

>  <Form> (37)
Free Base

>  <CAS> (37)
1226056-71-8

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

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286

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C14H8N2O

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SP600125

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N/A

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JNK

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Free Base

>  <CAS> (38)
129-56-6

>  <URL> (38)
http://www.selleckchem.com/products/SP600125.html

$$$$
Calcitriol .cdx
csChFnd80/01192109392D

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288

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C27H44O3

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Calcitriol (Rocaltrol)

>  <Synonyms> (39)
Calcijex, Silkis, Rocaltrol, Topitriol, Cholecalciferol 

>  <Target> (39)
Others

>  <Form> (39)
Free Base

>  <CAS> (39)
32222-06-3

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

$$$$
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864082-47-3

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http://www.selleckchem.com/products/GSK429286A.html

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N/A

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TGF-beta/Smad

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Free Base

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356559-20-1

>  <URL> (41)
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

>  <Form> (42)
Free Base

>  <CAS> (42)
593960-11-3

>  <URL> (42)
http://www.selleckchem.com/products/PIK-93.html

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Fludarabine.cdx
csChFnd80/01192109392D

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C10H12FN5O4

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STAT, DNA/RNA Synthesis

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21679-14-1

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

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1349796-36-6

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http://www.selleckchem.com/products/XL765(SAR245409).html#

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CDK 

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Free Base

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844442-38-2

>  <URL> (45)
http://www.selleckchem.com/products/AT7519.html

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MEK 

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1094614-85-3

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http://www.selleckchem.com/products/BIX-02189.html

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Akt, S6 kinase

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Free Base

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857531-00-1

>  <URL> (47)
http://www.selleckchem.com/products/AT7867.html

$$$$
Fasudil HCl.cdx
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352

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Fasudil HCl (HA-1077)

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ROCK

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105628-07-7

>  <URL> (48)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
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 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (49)
353

>  <Formula> (49)
C31H37N5O3

>  <MolWeight> (49)
527.65718

>  <Cat> (49)
S1574

>  <Name> (49)
BIRB 796 (Doramapimod)

>  <Synonyms> (49)
N/A

>  <Target> (49)
p38 MAPK

>  <Form> (49)
Free Base

>  <CAS> (49)
285983-48-4

>  <URL> (49)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Semagacestat.cdx
csChFnd80/01192109392D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
358

>  <Formula> (50)
C19H27N3O4

>  <MolWeight> (50)
361.43538

>  <Cat> (50)
S1594

>  <Name> (50)
Semagacestat (LY450139)

>  <Synonyms> (50)
LY-450139, LY450139

>  <Target> (50)
Gamma-secretase

>  <Form> (50)
Free Base

>  <CAS> (50)
425386-60-3

>  <URL> (50)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/01192109392D

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M  END
>  <Mol_ID> (51)
360

>  <Formula> (51)
C27H30Cl2F2N6O

>  <MolWeight> (51)
563.4695064

>  <Cat> (51)
S2686

>  <Name> (51)
NVP-BSK805 2HCl

>  <Synonyms> (51)
N/A

>  <Target> (51)
JAK

>  <Form> (51)
HCl

>  <CAS> (51)
1092499-93-8 (free base)

>  <URL> (51)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/01192109392D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (52)
368

>  <Formula> (52)
C29H35NO2

>  <MolWeight> (52)
429.5937

>  <Cat> (52)
S2606

>  <Name> (52)
Mifepristone (Mifeprex)

>  <Synonyms> (52)
RU-486, Mifegyne 

>  <Target> (52)
Estrogen/progestogen Receptor

>  <Form> (52)
Free Base

>  <CAS> (52)
84371-65-3

>  <URL> (52)
http://www.selleckchem.com/products/Mifepristone(Mifeprex).html

$$$$
Artesunate.cdx
csChFnd80/01192109392D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   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
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 11  2  1  0  0  0  0
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 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16  3  1  0  0  0  0
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 11 21  1  1  0  0  0
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M  END
>  <Mol_ID> (53)
391

>  <Formula> (53)
C19H28O8

>  <MolWeight> (53)
384.42082

>  <Cat> (53)
S2265

>  <Name> (53)
Artesunate

>  <Synonyms> (53)
N/A

>  <Target> (53)
STAT

>  <Form> (53)
Free Base

>  <CAS> (53)
88495-63-0

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

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (54)
396

>  <Formula> (54)
C20H28O2

>  <MolWeight> (54)
300.43512

>  <Cat> (54)
S1653

>  <Name> (54)
All-trans Retinoic Acid (Tretinoin)

>  <Synonyms> (54)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (54)
Retinoid Receptor

>  <Form> (54)
Free Base

>  <CAS> (54)
302-79-4

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

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/01192109392D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
434

>  <Formula> (55)
C19H16ClNO4

>  <MolWeight> (55)
357.78764

>  <Cat> (55)
S1723

>  <Name> (55)
Indomethacin (Indocid, Indocin)

>  <Synonyms> (55)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (55)
COX

>  <Form> (55)
Free Base

>  <CAS> (55)
53-86-1

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/01192109392D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
459

>  <Formula> (56)
C8H12N4O5

>  <MolWeight> (56)
244.20468

>  <Cat> (56)
S1782

>  <Name> (56)
Azacitidine (Vidaza)

>  <Synonyms> (56)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (56)
DNA/RNA Synthesis

>  <Form> (56)
Free Base

>  <CAS> (56)
320-67-2

>  <URL> (56)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
Baricitinib.cdx
csChFnd80/01192109392D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
472

>  <Formula> (57)
C16H17N7O2S

>  <MolWeight> (57)
371.41688

>  <Cat> (57)
S2851

>  <Name> (57)
Baricitinib (LY3009104)

>  <Synonyms> (57)
INCB 28050

>  <Target> (57)
JAK

>  <Form> (57)
Free Base

>  <CAS> (57)
1187594-09-7

>  <URL> (57)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
clemastine fumarate.cdx
csChFnd80/01192109392D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
479

>  <Formula> (58)
C25H30ClNO5

>  <MolWeight> (58)
459.9624

>  <Cat> (58)
S1847

>  <Name> (58)
Clemastine Fumarate

>  <Synonyms> (58)
Tavist, Agasten 

>  <Target> (58)
Histamine Receptor

>  <Form> (58)
Fumarate

>  <CAS> (58)
14976-57-9

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

$$$$
Methylthiouracil.cdx
csChFnd80/01192109392D

  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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    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (59)
481

>  <Formula> (59)
C5H6N2OS

>  <MolWeight> (59)
142.17894

>  <Cat> (59)
S3138

>  <Name> (59)
Methylthiouracil

>  <Synonyms> (59)
N/A

>  <Target> (59)
Others

>  <Form> (59)
Free Base

>  <CAS> (59)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/01192109392D

 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
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    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> (60)
486

>  <Formula> (60)
C4H12ClN5

>  <MolWeight> (60)
165.62458

>  <Cat> (60)
S1950

>  <Name> (60)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (60)
Glucophage, Riomet, Diabex

>  <Target> (60)
Others

>  <Form> (60)
Hydrochloride

>  <CAS> (60)
1115-70-4

>  <URL> (60)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Miconazole nitrate.cdx
csChFnd80/01192109392D

 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
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.7976    0.0000 C   0  0  3  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
  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
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 18 14  1  0  0  0  0
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 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> (61)
488

>  <Formula> (61)
C18H15Cl4N3O4

>  <MolWeight> (61)
479.1414

>  <Cat> (61)
S1956

>  <Name> (61)
Miconazole nitrate

>  <Synonyms> (61)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (61)
Antifection

>  <Form> (61)
Nitrate 

>  <CAS> (61)
22832-87-7

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

$$$$
Tangeretin.cdx
csChFnd80/01192109392D

 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
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    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  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 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
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 17 11  1  0  0  0  0
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 20 22  1  0  0  0  0
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M  END
>  <Mol_ID> (62)
507

>  <Formula> (62)
C20H20O7

>  <MolWeight> (62)
372.3686

>  <Cat> (62)
S2363

>  <Name> (62)
Tangeretin (Tangeritin)

>  <Synonyms> (62)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (62)
ROS

>  <Form> (62)
Free Base

>  <CAS> (62)
481-53-8

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

$$$$
Indirubin.cdx
csChFnd80/01192109392D

 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
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    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
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252935-94-7

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

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Maleate

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M  END
>  <Mol_ID> (67)
557

>  <Formula> (67)
C25H21N7O3

>  <MolWeight> (67)
467.47934

>  <Cat> (67)
S1219

>  <Name> (67)
YM201636

>  <Synonyms> (67)
N/A

>  <Target> (67)
PI3K 

>  <Form> (67)
Free Base

>  <CAS> (67)
371942-69-7

>  <URL> (67)
http://www.selleckchem.com/products/ym201636.html

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (68)
559

>  <Formula> (68)
C25H30ClI2NO3

>  <MolWeight> (68)
681.77254

>  <Cat> (68)
S1979

>  <Name> (68)
Amiodarone HCl

>  <Synonyms> (68)
N/A

>  <Target> (68)
Potassium Channel

>  <Form> (68)
Hydrochloride

>  <CAS> (68)
19774-82-4

>  <URL> (68)
http://www.selleckchem.com/products/amiodarone-hcl.html

$$$$
3-Methyladenine.cdx
csChFnd80/01192109392D

 11 12  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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  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (69)
562

>  <Formula> (69)
C6H7N5

>  <MolWeight> (69)
149.15328

>  <Cat> (69)
S2767

>  <Name> (69)
3-Methyladenine (3-MA)

>  <Synonyms> (69)
3-MA

>  <Target> (69)
PI3K

>  <Form> (69)
Free Base

>  <CAS> (69)
5142-23-4

>  <URL> (69)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
RG108.cdx
csChFnd80/01192109392D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
570

>  <Formula> (70)
C19H14N2O4

>  <MolWeight> (70)
334.32546

>  <Cat> (70)
S2821

>  <Name> (70)
RG108

>  <Synonyms> (70)
N/A 

>  <Target> (70)
Transferases

>  <Form> (70)
Free Base

>  <CAS> (70)
48208-26-0

>  <URL> (70)
http://www.selleckchem.com/products/rg108.html

$$$$
CUDC-907.cdx
csChFnd80/01192109392D

 36 40  0  0  0  0  0  0  0  0999 V2000
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PKC 

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Free Base

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425637-18-9

>  <URL> (76)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
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Verteporfin (Visudyne)

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>  <Target> (77)
5-alpha Reductase 

>  <Form> (77)
Free Base

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129497-78-5

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

$$$$
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csChFnd80/01192109392D

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PI3K

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1217486-61-7

>  <URL> (78)
http://www.selleckchem.com/products/byl719.html

$$$$
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1257704-57-6

>  <URL> (79)
http://www.selleckchem.com/products/cep33779.html

$$$$
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CI994 (Tacedinaline)

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PD-123654 

>  <Target> (80)
HDAC

>  <Form> (80)
Free Base

>  <CAS> (80)
112522-64-2

>  <URL> (80)
http://www.selleckchem.com/products/ci994-tacedinaline.html

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Quercetin.cdx
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Meletin, Quercetine

>  <Target> (81)
PI3K, PKC, Src, Sirtuin

>  <Form> (81)
Free Base

>  <CAS> (81)
117-39-5

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

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N/A 

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Smoothened

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>  <CAS> (82)
956697-53-3

>  <URL> (82)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

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C9H6O4

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Daphnetin

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N/A 

>  <Target> (83)
DNA/RNA Synthesis

>  <Form> (83)
Free Base

>  <CAS> (83)
486-35-1

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

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  1  2  1  0  0  0  0
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 10  5  2  0  0  0  0
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 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (89)
714

>  <Formula> (89)
C19H20O3

>  <MolWeight> (89)
296.3603

>  <Cat> (89)
S2285

>  <Name> (89)
Cryptotanshinone

>  <Synonyms> (89)
N/A

>  <Target> (89)
STAT

>  <Form> (89)
Free Base

>  <CAS> (89)
35825-57-1

>  <URL> (89)
http://www.selleckchem.com/products/Cryptotanshinone.html

$$$$
Emodin.cdx
csChFnd80/01192109392D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 10  2  1  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
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M  END
>  <Mol_ID> (90)
720

>  <Formula> (90)
C15H10O5

>  <MolWeight> (90)
270.2369

>  <Cat> (90)
S2295

>  <Name> (90)
Emodin

>  <Synonyms> (90)
N/A

>  <Target> (90)
Dehydrogenase

>  <Form> (90)
Free Base

>  <CAS> (90)
518-82-1

>  <URL> (90)
http://www.selleckchem.com/products/Emodin.html

$$$$
Hesperetin.cdx
csChFnd80/01192109392D

 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
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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  7 19  2  0  0  0  0
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 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (91)
731

>  <Formula> (91)
C16H14O6

>  <MolWeight> (91)
302.27876

>  <Cat> (91)
S2308

>  <Name> (91)
Hesperetin

>  <Synonyms> (91)
N/A

>  <Target> (91)
Histamine Receptor

>  <Form> (91)
Free Base

>  <CAS> (91)
520-33-2

>  <URL> (91)
http://www.selleckchem.com/products/Hesperetin.html

$$$$
Honokiol.cdx
csChFnd80/01192109392D

 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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M  END
>  <Mol_ID> (92)
733

>  <Formula> (92)
C18H18O2

>  <MolWeight> (92)
266.33432

>  <Cat> (92)
S2310

>  <Name> (92)
Honokiol

>  <Synonyms> (92)
N/A

>  <Target> (92)
Akt, MEK

>  <Form> (92)
Free Base

>  <CAS> (92)
35354-74-6

>  <URL> (92)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Myricitrin.cdx
csChFnd80/01192109392D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (93)
746

>  <Formula> (93)
C21H20O12

>  <MolWeight> (93)
464.3763

>  <Cat> (93)
S2327

>  <Name> (93)
Myricitrin (Myricitrine)

>  <Synonyms> (93)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (93)
PKC

>  <Form> (93)
Free Base

>  <CAS> (93)
17912-87-7

>  <URL> (93)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Oxymatrine.cdx
csChFnd80/01192109392D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  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 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (94)
755

>  <Formula> (94)
C15H24N2O2

>  <MolWeight> (94)
264.36326

>  <Cat> (94)
S2338

>  <Name> (94)
Oxymatrine (Matrine N-oxide)

>  <Synonyms> (94)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (94)
Others

>  <Form> (94)
Free Base

>  <CAS> (94)
16837-52-8 

>  <URL> (94)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

$$$$
Quercetin dihydrate.cdx
csChFnd80/01192109392D

 24 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
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 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  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
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (95)
762

>  <Formula> (95)
C15H14O9

>  <MolWeight> (95)
338.26626

>  <Cat> (95)
S2347

>  <Name> (95)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (95)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (95)
Others

>  <Form> (95)
Dihydrate

>  <CAS> (95)
6151-25-3

>  <URL> (95)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Curcumol.cdx
csChFnd80/01192109392D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
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 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (96)
772

>  <Formula> (96)
C15H24O2

>  <MolWeight> (96)
236.34986

>  <Cat> (96)
S2407

>  <Name> (96)
Curcumol

>  <Synonyms> (96)
N/A

>  <Target> (96)
JAK

>  <Form> (96)
Free Base

>  <CAS> (96)
4871-97-0

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

$$$$
LY 411575.cdx
csChFnd80/01192109392D

 35 38  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
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.8825    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (97)
794

>  <Formula> (97)
C26H23F2N3O4

>  <MolWeight> (97)
479.4753264

>  <Cat> (97)
S2714

>  <Name> (97)
LY411575

>  <Synonyms> (97)
N/A 

>  <Target> (97)
Gamma-secretase

>  <Form> (97)
Free Base

>  <CAS> (97)
209984-57-6

>  <URL> (97)
http://www.selleckchem.com/products/ly-411575.html

$$$$
TG1012009.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (98)
797

>  <Formula> (98)
C26H35N7O2S

>  <MolWeight> (98)
509.6668

>  <Cat> (98)
S2692

>  <Name> (98)
TG101209

>  <Synonyms> (98)
N/A

>  <Target> (98)
Flt, JAK, c-RET

>  <Form> (98)
Free Base

>  <CAS> (98)
936091-14-4

>  <URL> (98)
http://www.selleckchem.com/products/tg101209.html

$$$$
GSK2126458.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (99)
812

>  <Formula> (99)
C25H17F2N5O3S

>  <MolWeight> (99)
505.4959864

>  <Cat> (99)
S2658

>  <Name> (99)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (99)
N/A 

>  <Target> (99)
PI3K, mTOR

>  <Form> (99)
Free Base

>  <CAS> (99)
1086062-66-9 

>  <URL> (99)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
CP-690550 citrate.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (100)
841

>  <Formula> (100)
C22H28N6O8

>  <MolWeight> (100)
504.49312

>  <Cat> (100)
S5001

>  <Name> (100)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (100)
N/A 

>  <Target> (100)
JAK

>  <Form> (100)
Citrate

>  <CAS> (100)
540737-29-9

>  <URL> (100)
http://www.selleckchem.com/products/CP-690550.html

$$$$
CAL-1011.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (101)
843

>  <Formula> (101)
C22H18FN7O

>  <MolWeight> (101)
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>  <Cat> (101)
S2226

>  <Name> (101)
CAL-101 (GS-1101)

>  <Synonyms> (101)
CAL101

>  <Target> (101)
PI3K 

>  <Form> (101)
Free Base

>  <CAS> (101)
870281-82-6

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

$$$$
PIK-294.cdx
csChFnd80/01192109392D

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900185-02-6

>  <URL> (102)
http://www.selleckchem.com/products/PIK-294.html

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Avandia, BRL-49653

>  <Target> (103)
PPAR

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Free Base

>  <CAS> (103)
122320-73-4

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

$$$$
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>  <Mol_ID> (104)
868

>  <Formula> (104)
C18H21F3N6O2

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410.3935496

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S2247

>  <Name> (104)
BKM120 (NVP-BKM120)

>  <Synonyms> (104)
N/A 

>  <Target> (104)
PI3K

>  <Form> (104)
Free Base

>  <CAS> (104)
944396-07-0

>  <URL> (104)
http://www.selleckchem.com/products/BKM-120.html

$$$$
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>  <Synonyms> (105)
N/A 

>  <Target> (105)
PKC

>  <Form> (105)
Free Base

>  <CAS> (105)
1009820-21-6

>  <URL> (105)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
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>  <Formula> (106)
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>  <Synonyms> (106)
N/A 

>  <Target> (106)
TGF-beta/Smad

>  <Form> (106)
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>  <CAS> (106)
700874-72-2

>  <URL> (106)
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741713-40-6

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M  END
>  <Mol_ID> (116)
914

>  <Formula> (116)
C33H32N4O4

>  <MolWeight> (116)
548.63158

>  <Cat> (116)
S2662

>  <Name> (116)
ICG-001

>  <Synonyms> (116)
N/A

>  <Target> (116)
Wnt/beta-catenin

>  <Form> (116)
Free Base

>  <CAS> (116)
780757-88-2

>  <URL> (116)
http://www.selleckchem.com/products/icg-001.html

$$$$
Geldanamycin.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (117)
922

>  <Formula> (117)
C29H40N2O9

>  <MolWeight> (117)
560.6359

>  <Cat> (117)
S2713

>  <Name> (117)
Geldanamycin

>  <Synonyms> (117)
N/A

>  <Target> (117)
HSP

>  <Form> (117)
Free Base

>  <CAS> (117)
30562-34-6

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

$$$$
YO 01027.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (118)
928

>  <Formula> (118)
C26H23F2N3O3

>  <MolWeight> (118)
463.4759264

>  <Cat> (118)
S2711

>  <Name> (118)
YO-01027 (Dibenzazepine)

>  <Synonyms> (118)
N/A

>  <Target> (118)
Gamma-secretase

>  <Form> (118)
Free Base

>  <CAS> (118)
209984-56-5

>  <URL> (118)
http://www.selleckchem.com/products/yo-01027.html

$$$$
TG101348.cdx
csChFnd80/01192109392D

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JAK 

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936091-26-8

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http://www.selleckchem.com/products/tg-101348.html

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PI3K, mTOR

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Free Base

>  <CAS> (120)
1007207-67-1

>  <URL> (120)
http://www.selleckchem.com/products/ch5132799.html

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mTOR, PI3K

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1032754-93-0

>  <URL> (121)
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264218-23-7

>  <URL> (122)
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1013101-36-4 

>  <URL> (123)
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1070

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Vitamin C (Ascorbic acid)

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Vitamin

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Free Base

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50-81-7

>  <URL> (129)
http://www.selleckchem.com/products/vitamin-c-ascorbic-acid.html

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C24H23N5OS

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>  <Name> (130)
StemRegenin 1

>  <Synonyms> (130)
N/A 

>  <Target> (130)
AhR

>  <Form> (130)
Free Base

>  <CAS> (130)
1227633-49-9

>  <URL> (130)
http://www.selleckchem.com/products/stemRegenin-1.html

$$$$
WHI-P154.cdx
csChFnd80/01192109392D

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1090

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C16H14BrN3O3

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S2867

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WHI-P154

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N/A

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JAK, EGFR

>  <Form> (131)
Free Base

>  <CAS> (131)
211555-04-3

>  <URL> (131)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Forskolin.cdx
csChFnd80/01192109392D

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>  <Formula> (132)
C22H34O7

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410.50116

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Forskolin

>  <Synonyms> (132)
Coleonol

>  <Target> (132)
cAMP

>  <Form> (132)
Free Base

>  <CAS> (132)
66575-29-9

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

$$$$
Pirfenidone.cdx
csChFnd80/01192109392D

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S2907

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Pirfenidone

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N/A

>  <Target> (133)
TGF-beta/Smad

>  <Form> (133)
Free Base

>  <CAS> (133)
53179-13-8

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

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BI-D1870.cdx
csChFnd80/01192109392D

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941685-37-6

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http://www.selleckchem.com/products/s-ruxolitinib.html

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PKC

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133053-19-7

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http://www.selleckchem.com/products/go-6983.html

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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (139)
1167

>  <Formula> (139)
C10H10N2O2S

>  <MolWeight> (139)
222.2636

>  <Cat> (139)
S2926

>  <Name> (139)
TDZD-8

>  <Synonyms> (139)
N/A

>  <Target> (139)
GSK-3

>  <Form> (139)
Free Base

>  <CAS> (139)
327036-89-5 

>  <URL> (139)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
H-89.cdx
csChFnd80/01192109392D

 29 29  0  0  0  0  0  0  0  0999 V2000
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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> (140)
1172

>  <Formula> (140)
C20H22BrCl2N3O2S

>  <MolWeight> (140)
519.28258

>  <Cat> (140)
S1582

>  <Name> (140)
H 89 2HCl

>  <Synonyms> (140)
N/A

>  <Target> (140)
S6 Kinase

>  <Form> (140)
Dihydrochloride

>  <CAS> (140)
130964-39-5

>  <URL> (140)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Bexarotene.cdx
csChFnd80/01192109392D

 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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 10  2  1  0  0  0  0
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 13  4  1  0  0  0  0
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M  END
>  <Mol_ID> (141)
1211

>  <Formula> (141)
C24H28O2

>  <MolWeight> (141)
348.47792

>  <Cat> (141)
S2098

>  <Name> (141)
Bexarotene

>  <Synonyms> (141)
N/A

>  <Target> (141)
Retinoid Receptor

>  <Form> (141)
Free Base

>  <CAS> (141)
153559-49-0

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

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/01192109392D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    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
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  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  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
  9 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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 27 28  2  0  0  0  0
 28  1  1  0  0  0  0
M  END
>  <Mol_ID> (142)
1240

>  <Formula> (142)
C18H14N4O5S

>  <MolWeight> (142)
398.39256

>  <Cat> (142)
S1576

>  <Name> (142)
Sulfasalazine (Azulfidine)

>  <Synonyms> (142)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (142)
COX,NF-¦ÊB

>  <Form> (142)
Free Base

>  <CAS> (142)
599-79-1

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

$$$$
Pifithrin-¦Á.cdx
csChFnd80/01192109392D

 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
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (143)
1245

>  <Formula> (143)
C16H19BrN2OS

>  <MolWeight> (143)
367.30386

>  <Cat> (143)
S2929

>  <Name> (143)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (143)
N/A

>  <Target> (143)
p53

>  <Form> (143)
HBr

>  <CAS> (143)
63208-82-2

>  <URL> (143)
http://www.selleckchem.com/products/pifithrin-alpha.html

$$$$
aicar.cdx
csChFnd80/01192109392D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (144)
1256

>  <Formula> (144)
C9H14N4O5

>  <MolWeight> (144)
258.23126

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S1802

>  <Name> (144)
AICAR (Acadesine)

>  <Synonyms> (144)
AICAR, AICA-riboside

>  <Target> (144)
AMPK

>  <Form> (144)
Free Base

>  <CAS> (144)
2627-69-2

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

$$$$
nifuroxazide.cdx
csChFnd80/01192109392D

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1368

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C12H9N3O5

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275.21696

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S4182

>  <Name> (145)
Nifuroxazide

>  <Synonyms> (145)
N/A

>  <Target> (145)
STAT

>  <Form> (145)
Free Base

>  <CAS> (145)
965-52-6

>  <URL> (145)
http://www.selleckchem.com/products/nifuroxazide.html

$$$$
Halcinonide.cdx
csChFnd80/01192109392D

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1408

>  <Formula> (146)
C24H32ClFO5

>  <MolWeight> (146)
454.9592832

>  <Cat> (146)
S4098

>  <Name> (146)
Halcinonide

>  <Synonyms> (146)
N/A

>  <Target> (146)
Immunology & Inflammation related

>  <Form> (146)
Free Base

>  <CAS> (146)
3093-35-4

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

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (147)
1465

>  <Formula> (147)
C8H7NO2S

>  <MolWeight> (147)
181.21168

>  <Cat> (147)
S2930

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Pifithrin-¦Ì

>  <Synonyms> (147)
NSC 303580, PFT¦Ì

>  <Target> (147)
p53

>  <Form> (147)
Free Base

>  <CAS> (147)
64984-31-2

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

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (148)
1467

>  <Formula> (148)
C15H13FO2

>  <MolWeight> (148)
244.2609232

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S1679

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Flurbiprofen

>  <Synonyms> (148)
Urbifen, Ansaid, Flurwood, Froben

>  <Target> (148)
COX

>  <Form> (148)
Free Base

>  <CAS> (148)
51543-39-6

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

$$$$
TTNPB.cdx
csChFnd80/01192109392D

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C24H28O2

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TTNPB

>  <Synonyms> (149)
Ro 13-7410

>  <Target> (149)
Retinoid Receptor

>  <Form> (149)
Free Base

>  <CAS> (149)
71441-28-6

>  <URL> (149)
http://www.selleckchem.com/products/ttnpb-arotinoid-acid.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (150)
1534

>  <Formula> (150)
C44H69NO12

>  <MolWeight> (150)
804.01816

>  <Cat> (150)
S5003

>  <Name> (150)
Tacrolimus (FK506)

>  <Synonyms> (150)
FR900506

>  <Target> (150)
mTOR

>  <Form> (150)
Free Base

>  <CAS> (150)
104987-11-3

>  <URL> (150)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
R-Ruxolitinib.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (151)
1536

>  <Formula> (151)
C17H18N6

>  <MolWeight> (151)
306.36502

>  <Cat> (151)
S1378

>  <Name> (151)
Ruxolitinib (INCB018424)

>  <Synonyms> (151)
N/A

>  <Target> (151)
JAK

>  <Form> (151)
Free Base

>  <CAS> (151)
941678-49-5

>  <URL> (151)
http://www.selleckchem.com/products/INCB18424.html

$$$$
S1263.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (152)
1561

>  <Formula> (152)
C22H18Cl2N8

>  <MolWeight> (152)
465.33792

>  <Cat> (152)
S1263

>  <Name> (152)
CHIR-99021 (CT99021)

>  <Synonyms> (152)
N/A

>  <Target> (152)
GSK-3

>  <Form> (152)
Free Base

>  <CAS> (152)
252917-06-9

>  <URL> (152)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (153)
1689

>  <Formula> (153)
C14H23ClN2O

>  <MolWeight> (153)
270.79822

>  <Cat> (153)
S4667

>  <Name> (153)
Lidocaine hydrochloride

>  <Synonyms> (153)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (153)
Others

>  <Form> (153)
hydrochloride

>  <CAS> (153)
73-78-9

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

$$$$
S4747 Jervine.cdx
csChFnd80/01192109392D

 36 41  0  0  0  0  0  0  0  0999 V2000
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    7.4492    5.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1465    5.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2584    6.6295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4670    4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8888    6.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    6.8993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2855    7.6307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1950    6.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6527    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2623    3.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2548    4.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7131    7.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2855    9.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1678    2.0907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9332    2.8064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3522    5.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7444    9.0055    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4942    9.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7131    6.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
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  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  6  0  0  0
  9 15  1  0  0  0  0
  9 33  1  1  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
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 13 17  1  0  0  0  0
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 15 20  1  0  0  0  0
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 17 22  1  0  0  0  0
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 19 20  1  0  0  0  0
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 25 28  1  0  0  0  0
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 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
>  <Mol_ID> (154)
1726

>  <Formula> (154)
C27H39NO3

>  <MolWeight> (154)
425.60346

>  <Cat> (154)
S4747

>  <Name> (154)
Jervine

>  <Synonyms> (154)
11-Ketocyclopamine

>  <Target> (154)
Hedgehog/Smoothened

>  <Form> (154)
Free Base

>  <CAS> (154)
469-59-0

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

$$$$
S4743 Wogonin.cdx
csChFnd80/01192109392D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6326    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6965    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (155)
1733

>  <Formula> (155)
C16H12O5

>  <MolWeight> (155)
284.26348

>  <Cat> (155)
S4743

>  <Name> (155)
Wogonin

>  <Synonyms> (155)
Vogonin

>  <Target> (155)
CDK

>  <Form> (155)
Free Base

>  <CAS> (155)
632-85-9

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

$$$$
S3616 Asiaticoside.cdx
csChFnd80/01192109392D

 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
    9.4433   12.9846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2257   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   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
    5.7994   12.3062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0079   10.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085    9.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5439    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6169    7.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7438    5.9295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.8989    5.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3215    5.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    3.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    2.3193    1.3587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6038    0.7210    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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    5.2725    8.9558    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
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
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 16  9  1  1  0  0  0
 11 14  1  0  0  0  0
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 14 20  1  6  0  0  0
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 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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 23 29  1  0  0  0  0
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 26 31  1  1  0  0  0
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 27 33  1  1  0  0  0
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 29 34  1  0  0  0  0
 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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 40 44  1  6  0  0  0
 40 42  1  0  0  0  0
 41 45  1  0  0  0  0
 41 46  1  0  0  0  0
 42 47  1  1  0  0  0
 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
 60 63  1  1  0  0  0
 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> (156)
1763

>  <Formula> (156)
C48H78O19

>  <MolWeight> (156)
959.12152

>  <Cat> (156)
S3616

>  <Name> (156)
Asiaticoside

>  <Synonyms> (156)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (156)
Others

>  <Form> (156)
free base

>  <CAS> (156)
16830-15-2

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/01192109392D

 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
  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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  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> (157)
1772

>  <Formula> (157)
C9H10O4

>  <MolWeight> (157)
182.1733

>  <Cat> (157)
S3630

>  <Name> (157)
Methyl Vanillate

>  <Synonyms> (157)
N/A

>  <Target> (157)
Wnt/¦Â-Catenin

>  <Form> (157)
free base

>  <CAS> (157)
3943-74-6

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/01192109392D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1788

>  <Formula> (158)
C11H8O3

>  <MolWeight> (158)
188.17942

>  <Cat> (158)
S3661

>  <Name> (158)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (158)
N/A

>  <Target> (158)
PKC

>  <Form> (158)
free base

>  <CAS> (158)
2348-82-5

>  <URL> (158)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/01192109392D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.0749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8548    4.9732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    4.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    6.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    4.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    7.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6974    4.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7264    6.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    6.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3566    7.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5727    6.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9977    6.3502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.3855    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  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 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  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
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (159)
1840

>  <Formula> (159)
C17H17N3Na2O8

>  <MolWeight> (159)
437.31172

>  <Cat> (159)
S3745

>  <Name> (159)
Balsalazide disodium

>  <Synonyms> (159)
N/A

>  <Target> (159)
Immunology & Inflammation related

>  <Form> (159)
disodium salt dihydrate

>  <CAS> (159)
150399-21-6

>  <URL> (159)
http://www.selleckchem.com/products/balsalazide-disodium.html

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/01192109392D

 38 41  0  0  0  0  0  0  0  0999 V2000
    7.3740    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3740    4.9040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7061    3.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    1.4205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7061    5.3285    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1362    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    2.8115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9278    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    6.6489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7077    1.4029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4993    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5334    6.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2581    7.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4411    5.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    1.4205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8087    6.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2448    7.4505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7281    5.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3252    8.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7438    9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8302   10.8281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8675   11.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8811   11.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7810    9.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539    4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    0.0000    0.0000 H   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 35  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 37  1  6  0  0  0
  6 13  1  0  0  0  0
  6 14  1  1  0  0  0
  7 15  1  0  0  0  0
  7 10  1  1  0  0  0
  8 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 13 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 38  1  1  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 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
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (160)
1875

>  <Formula> (160)
C26H45NO6S

>  <MolWeight> (160)
499.7036

>  <Cat> (160)
S3654

>  <Name> (160)
Tauroursodeoxycholic Acid

>  <Synonyms> (160)
N/A

>  <Target> (160)
Others

>  <Form> (160)
free base

>  <CAS> (160)
14605-22-2

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

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/01192109392D

 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
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 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> (161)
1878

>  <Formula> (161)
C16H16O4

>  <MolWeight> (161)
272.29584

>  <Cat> (161)
S3940

>  <Name> (161)
3'-Hydroxypterostilbene

>  <Synonyms> (161)
3'-HPT

>  <Target> (161)
Others

>  <Form> (161)
free base

>  <CAS> (161)
475231-21-1

>  <URL> (161)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/01192109392D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    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
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (162)
1888

>  <Formula> (162)
C6H13NO4

>  <MolWeight> (162)
163.17172

>  <Cat> (162)
S3839

>  <Name> (162)
1-Deoxynojirimycin

>  <Synonyms> (162)
duvoglustat, moranolin

>  <Target> (162)
¦Á-glucosidase

>  <Form> (162)
free base

>  <CAS> (162)
19130-96-2

>  <URL> (162)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/01192109392D

 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> (163)
1892

>  <Formula> (163)
C19H20O5

>  <MolWeight> (163)
328.3591

>  <Cat> (163)
S3819

>  <Name> (163)
Decursinol angelate

>  <Synonyms> (163)
N/A

>  <Target> (163)
PKC

>  <Form> (163)
free base

>  <CAS> (163)
130848-06-5

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

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/01192109392D

 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> (164)
1909

>  <Formula> (164)
C21H20O12

>  <MolWeight> (164)
464.3763

>  <Cat> (164)
S3842

>  <Name> (164)
Isoquercitrin

>  <Synonyms> (164)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (164)
Wnt/¦Â-catenin

>  <Form> (164)
free base

>  <CAS> (164)
482-35-9

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

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/01192109392D

 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> (165)
1922

>  <Formula> (165)
C19H24ClNO4

>  <MolWeight> (165)
365.85116

>  <Cat> (165)
S3758

>  <Name> (165)
Sinomenine hydrochloride

>  <Synonyms> (165)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (165)
Immunology & Inflammation

>  <Form> (165)
hydrochloride

>  <CAS> (165)
6080-33-7

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

$$$$
S3783 Echinacoside.cdx
csChFnd80/01192109392D

 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
  2  6  1  1  0  0  0
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M  END
>  <Mol_ID> (166)
1927

>  <Formula> (166)
C35H46O20

>  <MolWeight> (166)
786.72774

>  <Cat> (166)
S3783

>  <Name> (166)
Echinacoside

>  <Synonyms> (166)
N/A

>  <Target> (166)
Others

>  <Form> (166)
free base

>  <CAS> (166)
82854-37-3

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

$$$$
S3787 Picroside I.cdx
csChFnd80/01192109392D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
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 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (167)
1930

>  <Formula> (167)
C24H28O11

>  <MolWeight> (167)
492.47252

>  <Cat> (167)
S3787

>  <Name> (167)
Picroside I

>  <Synonyms> (167)
6'-Cinnamoylcatalpol

>  <Target> (167)
Antifection

>  <Form> (167)
free base

>  <CAS> (167)
27409-30-9

>  <URL> (167)
http://www.selleckchem.com/products/picroside-i.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/01192109392D

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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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   15.9079   12.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 17  1  1  0  0  0
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 21 57  1  6  0  0  0
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 30 25  1  1  0  0  0
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 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
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 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
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 35 40  1  0  0  0  0
 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  0  0  0  0
 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
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 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (168)
1980

>  <Formula> (168)
C41H68O14

>  <MolWeight> (168)
784.97022

>  <Cat> (168)
S3901

>  <Name> (168)
Astragaloside IV

>  <Synonyms> (168)
AST-IV, AS-IV

>  <Target> (168)
Others

>  <Form> (168)
free base

>  <CAS> (168)
84687-43-4

>  <URL> (168)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
LY2109761.cdx
csChFnd80/01192109392D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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TGF-beta/Smad

>  <Form> (169)
Free Base

>  <CAS> (169)
700874-71-1 

>  <URL> (169)
http://www.selleckchem.com/products/ly2109761.html

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>  <Mol_ID> (170)
2003

>  <Formula> (170)
C23H17FN6O

>  <MolWeight> (170)
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>  <Cat> (170)
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>  <Name> (170)
Capmatinib (INCB28060)

>  <Synonyms> (170)
N/A

>  <Target> (170)
c-Met 

>  <Form> (170)
Free Base

>  <CAS> (170)
1029712-80-8

>  <URL> (170)
http://www.selleckchem.com/products/incb28060.html

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>  <Mol_ID> (171)
2004

>  <Formula> (171)
C28H62Cl8N8

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>  <Cat> (171)
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>  <Name> (171)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (171)
AMD3100 

>  <Target> (171)
CXCR

>  <Form> (171)
Octahydrochloride 

>  <CAS> (171)
155148-31-5

>  <URL> (171)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

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>  <Mol_ID> (172)
2006

>  <Formula> (172)
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>  <MolWeight> (172)
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>  <Cat> (172)
S2805

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LY364947

>  <Synonyms> (172)
N/A

>  <Target> (172)
TGF-beta/Smad

>  <Form> (172)
Free Base

>  <CAS> (172)
396129-53-6

>  <URL> (172)
http://www.selleckchem.com/products/ly364947.html

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>  <Mol_ID> (173)
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PI3K

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925705-73-3

>  <URL> (173)
http://www.selleckchem.com/products/tg-100713.html

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N/A

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Wnt/beta-catenin

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Free Base

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1118807-13-8

>  <URL> (174)
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> (175)
Free Base

>  <CAS> (175)
1338466-77-5

>  <URL> (175)
https://www.selleckchem.com/products/epz004777.html

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PP1

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Src

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Free Base

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172889-26-8

>  <URL> (176)
http://www.selleckchem.com/products/pp1.html

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>  <Mol_ID> (178)
2048

>  <Formula> (178)
C16H14N4O2S

>  <MolWeight> (178)
326.37296

>  <Cat> (178)
S7195

>  <Name> (178)
RKI-1447

>  <Synonyms> (178)
N/A

>  <Target> (178)
ROCK

>  <Form> (178)
Free Base

>  <CAS> (178)
1342278-01-6

>  <URL> (178)
http://www.selleckchem.com/products/rki-1447.html

$$$$
S3868 Harmine.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (179)
2069

>  <Formula> (179)
C13H12N2O

>  <MolWeight> (179)
212.24718

>  <Cat> (179)
S3868

>  <Name> (179)
Harmine

>  <Synonyms> (179)
telepathine

>  <Target> (179)
PPAR¦Ã,MAO-A

>  <Form> (179)
free base

>  <CAS> (179)
442-51-3

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

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (180)
2107

>  <Formula> (180)
C6H6N2O2

>  <MolWeight> (180)
138.12404

>  <Cat> (180)
S4785

>  <Name> (180)
Nicotinamide N-oxide

>  <Synonyms> (180)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (180)
Others

>  <Form> (180)
free base

>  <CAS> (180)
1986-81-8

>  <URL> (180)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (181)
2128

>  <Formula> (181)
C15H12O2

>  <MolWeight> (181)
224.25458

>  <Cat> (181)
S4763

>  <Name> (181)
4-Hydroxychalcone

>  <Synonyms> (181)
P-Cinnamoylphenol

>  <Target> (181)
Others

>  <Form> (181)
free base

>  <CAS> (181)
20426-12-4

>  <URL> (181)
http://www.selleckchem.com/products/4-hydroxychalcone.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (182)
2136

>  <Formula> (182)
C76H52O46

>  <MolWeight> (182)
1701.19848

>  <Cat> (182)
S3951

>  <Name> (182)
Tannic acid

>  <Synonyms> (182)
Gallotannic acid

>  <Target> (182)
CXCR4 

>  <Form> (182)
free base

>  <CAS> (182)
1401-55-4

>  <URL> (182)
http://www.selleckchem.com/products/tannic-acid.html

$$$$
S4990 TBHQ.cdx
csChFnd80/01192109392D

 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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    1.1982    3.2629    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
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  7 10  2  0  0  0  0
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (183)
2181

>  <Formula> (183)
C10H14O2

>  <MolWeight> (183)
166.21696

>  <Cat> (183)
S4990

>  <Name> (183)
TBHQ

>  <Synonyms> (183)
Tert-butylhydroquinone

>  <Target> (183)
Nrf2

>  <Form> (183)
free base

>  <CAS> (183)
1948-33-0

>  <URL> (183)
http://selleckchem.com/products/tbhq.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/01192109392D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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M  END
>  <Mol_ID> (184)
2213

>  <Formula> (184)
C18H16O7

>  <MolWeight> (184)
344.31544

>  <Cat> (184)
S4953

>  <Name> (184)
Usnic acid

>  <Synonyms> (184)
Usniacin

>  <Target> (184)
Others

>  <Form> (184)
free base

>  <CAS> (184)
125-46-2

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

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/01192109392D

 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
    6.0591    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    4.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    6.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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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  2  0  0  0  0
 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> (185)
2231

>  <Formula> (185)
C10H13N5O

>  <MolWeight> (185)
219.24312

>  <Cat> (185)
S4884

>  <Name> (185)
Trans-Zeatin

>  <Synonyms> (185)
(E)-Zeatin

>  <Target> (185)
Others

>  <CAS> (185)
1637-39-4

>  <URL> (185)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/01192109392D

 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
  9 11  1  0  0  0  0
 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> (186)
2263

>  <Formula> (186)
C15H12O2

>  <MolWeight> (186)
224.25458

>  <Cat> (186)
S4937

>  <Name> (186)
4'-Hydroxychalcone

>  <Synonyms> (186)
P-Cinnamoylphenol

>  <Target> (186)
Others

>  <Form> (186)
free base

>  <CAS> (186)
2657-25-2

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

$$$$
Sodium valproate.cdx
csChFnd80/01192109392D

 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> (187)
2268

>  <Formula> (187)
C8H15NaO2

>  <MolWeight> (187)
166.19327

>  <Cat> (187)
S1168

>  <Name> (187)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (187)
N/A 

>  <Target> (187)
GABA Receptor, HDAC

>  <CAS> (187)
1069-66-5, 99-66-1 (FREE BASE)

>  <URL> (187)
http://www.selleckchem.com/products/Sodium-valproate.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/01192109392D

 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
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    2.0667    7.5812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.2954   12.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3714    1.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4478   15.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   11.7999    4.3526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 67  1  6  0  0  0
 48 68  1  6  0  0  0
M  END
>  <Mol_ID> (188)
2271

>  <Formula> (188)
C47H80O18

>  <MolWeight> (188)
933.1273

>  <Cat> (188)
S3785

>  <Name> (188)
Notoginsenoside R1

>  <Synonyms> (188)
Sanchinoside R1

>  <Target> (188)
Others

>  <Form> (188)
free base

>  <CAS> (188)
80418-24-2

>  <URL> (188)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
Isotretinoin.cdx
csChFnd80/01192109392D

 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
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    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
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  3  4  1  0  0  0  0
  5  1  2  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (189)
2281

>  <Formula> (189)
C20H28O2

>  <MolWeight> (189)
300.43512

>  <Cat> (189)
S1379

>  <Name> (189)
Isotretinoin 

>  <Synonyms> (189)
13-cis retinoic acid

>  <Target> (189)
hydroxylase

>  <Form> (189)
free base

>  <CAS> (189)
4759-48-2

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/01192109392D

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>  <Formula> (190)
C21H18O12

>  <MolWeight> (190)
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>  <Cat> (190)
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>  <Name> (190)
Scutellarin

>  <Synonyms> (190)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (190)
Others

>  <Form> (190)
free base

>  <CAS> (190)
27740-01-8

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

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untitled.cdx
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C21H46NO4P

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S3056

>  <Name> (191)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (191)
N/A

>  <Target> (191)
Akt

>  <Form> (191)
Free Base

>  <CAS> (191)
58066-85-6

>  <URL> (191)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
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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> (192)
http://www.selleckchem.com/products/nu7026.html

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GSK2636771

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N/A

>  <Target> (193)
PI3K

>  <Form> (193)
Free Base

>  <CAS> (193)
1372540-25-4

>  <URL> (193)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
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N/A

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PI3K

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Free Base

>  <CAS> (195)
1201438-56-3

>  <URL> (195)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
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csChFnd80/01192109392D

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2349

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C26H21N3O3

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S7086

>  <Name> (196)
IWR-1-endo

>  <Synonyms> (196)
IWR-1

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

>  <Form> (196)
Free Base

>  <CAS> (196)
1127442-82-3

>  <URL> (196)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/01192109392D

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2355

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C8H5NO4S

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211.1946

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Stattic

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N/A

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STAT

>  <Form> (197)
Free Base

>  <CAS> (197)
19983-44-9

>  <URL> (197)
http://www.selleckchem.com/products/stattic.html

$$$$
Butein.cdx
csChFnd80/01192109392D

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Butein

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N/A

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EGFR

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Free Base

>  <CAS> (198)
487-52-5

>  <URL> (198)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/01192109392D

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2369

>  <Formula> (199)
C18H16N2O2

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>  <Name> (199)
(-)-Blebbistatin

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N/A

>  <Target> (199)
ATPase

>  <Form> (199)
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>  <CAS> (199)
856925-71-8

>  <URL> (199)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
untitled.cdx
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    3.6373    9.8097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (200)
2376

>  <Formula> (200)
C21H16N6O2S2

>  <MolWeight> (200)
448.52074

>  <Cat> (200)
S1118

>  <Name> (200)
XL147 analogue

>  <Synonyms> (200)
SAR245408

>  <Target> (200)
PI3K 

>  <Form> (200)
Free Base

>  <CAS> (200)
956958-53-5

>  <URL> (200)
http://www.selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/01192109392D

 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
    2.4207    8.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    5.6701    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    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> (201)
2380

>  <Formula> (201)
C16H15BrClN5O4S

>  <MolWeight> (201)
488.7434

>  <Cat> (201)
S1205

>  <Name> (201)
PIK-75 

>  <Synonyms> (201)
N/A

>  <Target> (201)
PI3K, DNA-PK

>  <Form> (201)
Hydrochloride

>  <CAS> (201)
372196-77-5

>  <URL> (201)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
Ellagic acid.cdx
csChFnd80/01192109392D

 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> (202)
2392

>  <Formula> (202)
C14H6O8

>  <MolWeight> (202)
302.19264

>  <Cat> (202)
S1327

>  <Name> (202)
Ellagic acid

>  <Synonyms> (202)
N/A

>  <Target> (202)
Topoisomerases

>  <Form> (202)
Free Base

>  <CAS> (202)
476-66-4

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

$$$$
Ketoconazole.cdx
csChFnd80/01192109392D

 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
    9.6145    8.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   11.9360    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1484    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3566    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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> (203)
2396

>  <Formula> (203)
C26H28Cl2N4O4

>  <MolWeight> (203)
531.43092

>  <Cat> (203)
S1353

>  <Name> (203)
Ketoconazole

>  <Synonyms> (203)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (203)
P450

>  <Form> (203)
Free Base

>  <CAS> (203)
65277-42-1

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

$$$$
bms-707035.cdx
csChFnd80/01192109392D

 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> (204)
2397

>  <Formula> (204)
C18H11N3O2S

>  <MolWeight> (204)
333.36384

>  <Cat> (204)
S1360

>  <Name> (204)
GSK1059615

>  <Synonyms> (204)
N/A

>  <Target> (204)
PI3K, mTOR

>  <Form> (204)
Free Base

>  <CAS> (204)
958852-01-2

>  <URL> (204)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
S3003 Dinoprostone.cdx
csChFnd80/01192109392D

 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
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    0.6747    2.7440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (205)
2401

>  <Formula> (205)
C20H32O5

>  <MolWeight> (205)
352.46508

>  <Cat> (205)
S3003

>  <Name> (205)
Dinoprostone

>  <Form> (205)
free base

>  <CAS> (205)
363-24-6

$$$$
LY2228820.cdx
csChFnd80/01192109392D

 41 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (206)
2405

>  <Formula> (206)
C26H37FN6O6S2

>  <MolWeight> (206)
612.7369832

>  <Cat> (206)
S1494

>  <Name> (206)
LY2228820

>  <Synonyms> (206)
N/A

>  <Target> (206)
p38 MAPK

>  <Form> (206)
Dimesylate

>  <CAS> (206)
862507-23-1

>  <URL> (206)
http://www.selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/01192109392D

  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
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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> (207)
2426

>  <Formula> (207)
C4H7NaO2

>  <MolWeight> (207)
110.08695

>  <Cat> (207)
S1999

>  <Name> (207)
Sodium butyrate

>  <Synonyms> (207)
Butyric acid sodium salt

>  <Target> (207)
HDAC

>  <Form> (207)
Sodium Salt

>  <CAS> (207)
156-54-7

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

$$$$
Itraconazole.cdx
csChFnd80/01192109392D

 49 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (208)
2438

>  <Formula> (208)
C35H38Cl2N8O4

>  <MolWeight> (208)
705.63342

>  <Cat> (208)
S2476

>  <Name> (208)
Itraconazole (Sporanox)

>  <Synonyms> (208)
Sporanox

>  <Target> (208)
P450 (e.g. CYP17)

>  <Form> (208)
Free Base

>  <CAS> (208)
84625-61-6

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

$$$$
PK-1587.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (209)
2451

>  <Formula> (209)
C32H41N9O4

>  <MolWeight> (209)
615.72584

>  <Cat> (209)
S2628

>  <Name> (209)
PF-05212384 (PKI-587)

>  <Synonyms> (209)
N/A 

>  <Target> (209)
mTOR, PI3K

>  <Form> (209)
Free Base

>  <CAS> (209)
1197160-78-3

>  <URL> (209)
http://www.selleckchem.com/products/pki587.html

$$$$
3.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (210)
2452

>  <Formula> (210)
C26H24F4N6O

>  <MolWeight> (210)
512.5019728

>  <Cat> (210)
S2157

>  <Name> (210)
Taladegib (LY2940680)

>  <Synonyms> (210)
N/A

>  <Target> (210)
Hedgehog, Smoothened

>  <Form> (210)
Free Base

>  <CAS> (210)
1258861-20-9

>  <URL> (210)
http://www.selleckchem.com/products/ly2940680.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (211)
2455

>  <Formula> (211)
C25H19NO3S

>  <MolWeight> (211)
413.48826

>  <Cat> (211)
S2638

>  <Name> (211)
NU7441(KU-57788)

>  <Synonyms> (211)
N/A 

>  <Target> (211)
DNA-PK, PI3K

>  <Form> (211)
Free Base

>  <CAS> (211)
503468-95-9 

>  <URL> (211)
http://www.selleckchem.com/products/nu7441.html

$$$$
Trazodone hydrochloride.cdx
csChFnd80/01192109392D

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    8.4744    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1698    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 26  2  0  0  0  0
M  END
>  <Mol_ID> (212)
2462

>  <Formula> (212)
C19H23Cl2N5O

>  <MolWeight> (212)
408.32482

>  <Cat> (212)
S2582

>  <Name> (212)
Trazodone hydrochloride (Desyrel)

>  <Synonyms> (212)
N/A 

>  <Target> (212)
5-HT Receptor

>  <Form> (212)
Hydrochloride

>  <CAS> (212)
25332-39-2 

>  <URL> (212)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/01192109392D

 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
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    7.1703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  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> (213)
2463

>  <Formula> (213)
C23H14Na2O11

>  <MolWeight> (213)
512.3302

>  <Cat> (213)
S1911

>  <Name> (213)
Disodium Cromoglycate

>  <Synonyms> (213)
Gynazole

>  <Target> (213)
Calcium Channel

>  <Form> (213)
Disodium Salt

>  <CAS> (213)
15826-37-6

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

$$$$
Wnt-C59 (C59).cdx
csChFnd80/01192109392D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.1000    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
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1571    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
>  <Mol_ID> (214)
2476

>  <Formula> (214)
C25H21N3O

>  <MolWeight> (214)
379.45374

>  <Cat> (214)
S7037

>  <Name> (214)
Wnt-C59 (C59)

>  <Synonyms> (214)
N/A

>  <Target> (214)
Wnt/beta-catenin

>  <Form> (214)
Free Base

>  <CAS> (214)
1243243-89-1

>  <URL> (214)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
Nefopam HCl.cdx
csChFnd80/01192109392D

 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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  1  2  2  0  0  0  0
  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> (215)
2479

>  <Formula> (215)
C17H20ClNO

>  <MolWeight> (215)
289.7998

>  <Cat> (215)
S4180

>  <Name> (215)
Nefopam HCl

>  <Synonyms> (215)
N/A

>  <Target> (215)
Others

>  <Form> (215)
Hydrochloride

>  <CAS> (215)
23327-57-3

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

$$$$
PF-4989216.cdx
csChFnd80/01192109392D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
2509

>  <Formula> (216)
C18H13FN6OS

>  <MolWeight> (216)
380.3988232

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S7675

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PF-4989216

>  <Synonyms> (216)
N/A

>  <Target> (216)
PI3K

>  <Form> (216)
Free Base

>  <CAS> (216)
1276553-09-3

>  <URL> (216)
http://www.selleckchem.com/products/pf-4989216.html

$$$$
AZD8186.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (217)
2510

>  <Formula> (217)
C24H25F2N3O4

>  <MolWeight> (217)
457.4698064

>  <Cat> (217)
S7694

>  <Name> (217)
AZD8186

>  <Synonyms> (217)
N/A

>  <Target> (217)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (217)
Free Base

>  <CAS> (217)
1627494-13-6

>  <URL> (217)
http://www.selleckchem.com/products/azd8186.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/01192109392D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (218)
2511

>  <Formula> (218)
C18H23N5NaO8P

>  <MolWeight> (218)
491.367451

>  <Cat> (218)
S7858

>  <Name> (218)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (218)
dbcAMP

>  <Target> (218)
PKA

>  <Form> (218)
sodium salt

>  <CAS> (218)
16980-89-5

>  <URL> (218)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (219)
2515

>  <Formula> (219)
C10H10BrN5NaO6P

>  <MolWeight> (219)
430.083831

>  <Cat> (219)
S7857

>  <Name> (219)
8-Bromo-cAMP

>  <Synonyms> (219)
N/A

>  <Target> (219)
PKA

>  <Form> (219)
sodium salt

>  <CAS> (219)
76939-46-3

>  <URL> (219)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/01192109392D

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M  CFW  36 BOND_GSTEREO 5
M  END
>  <Mol_ID> (220)
2518

>  <Formula> (220)
C28H29Cl2N3OS

>  <MolWeight> (220)
526.52036

>  <Cat> (220)
S7779

>  <Name> (220)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (220)
N/A

>  <Target> (220)
Hedgehog/Smoothened

>  <Form> (220)
Hydrochloride

>  <CAS> (220)
912545-86-9

>  <URL> (220)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (221)
2524

>  <Formula> (221)
C28H32O6

>  <MolWeight> (221)
464.55008

>  <Cat> (221)
S7259

>  <Name> (221)
FLLL32

>  <Synonyms> (221)
N/A

>  <Target> (221)
JAK

>  <Form> (221)
Free Base

>  <CAS> (221)
1226895-15-3

>  <URL> (221)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (222)
2527

>  <Formula> (222)
C26H44NNaO6S

>  <MolWeight> (222)
521.68543

>  <Cat> (222)
S7896

>  <Name> (222)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (222)
N/A

>  <Target> (222)
Antifection

>  <Form> (222)
sodium salt

>  <CAS> (222)
35807-85-3

>  <URL> (222)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (223)
2528

>  <Formula> (223)
C24H28N8O2

>  <MolWeight> (223)
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>  <Cat> (223)
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>  <Name> (223)
GDC-0032

>  <Synonyms> (223)
RG7604

>  <Target> (223)
PI3K

>  <Form> (223)
Free Base

>  <CAS> (223)
1282512-48-4

>  <URL> (223)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/01192109392D

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>  <Formula> (224)
C11H10N2O2S

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>  <Cat> (224)
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>  <Name> (224)
Isoxazole 9 (ISX-9)

>  <Synonyms> (224)
N/A

>  <Target> (224)
Others

>  <Form> (224)
Free Base

>  <CAS> (224)
832115-62-5

>  <URL> (224)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
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>  <Mol_ID> (225)
2536

>  <Formula> (225)
C27H41F2N5O

>  <MolWeight> (225)
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>  <Cat> (225)
S8018

>  <Name> (225)
PF-03084014 (PF-3084014)

>  <Synonyms> (225)
N/A

>  <Target> (225)
Gamma-secretase

>  <Form> (225)
Free Base

>  <CAS> (225)
1290543-63-3

>  <URL> (225)
http://www.selleckchem.com/products/pf-03084014-pf-3084014.html

$$$$

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>  <Mol_ID> (226)
2546

>  <Formula> (226)
C17H16N2O3

>  <MolWeight> (226)
296.32054

>  <Cat> (226)
S7667

>  <Name> (226)
SU5402

>  <Synonyms> (226)
N/A

>  <Target> (226)
VEGFR

>  <Form> (226)
Free Base

>  <CAS> (226)
215543-92-3

>  <URL> (226)
http://www.selleckchem.com/products/su5402.html

$$$$
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csChFnd80/01192109392D

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P7C3

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N/A

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NAMPT

>  <Form> (227)
Free Base

>  <CAS> (227)
301353-96-8

>  <URL> (227)
http://www.selleckchem.com/products/p7c3.html

$$$$
ONC201.cdx
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N/A

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Akt

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>  <CAS> (228)
1616632-77-9

>  <URL> (228)
http://www.selleck.cn/products/tic-10.html

$$$$
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M  END
>  <Mol_ID> (229)
2552

>  <Formula> (229)
C18H12BrN3O3

>  <MolWeight> (229)
398.21018

>  <Cat> (229)
S7915

>  <Name> (229)
BIO-acetoxime

>  <Synonyms> (229)
N/A

>  <Target> (229)
GSK-3

>  <Form> (229)
Free Base

>  <CAS> (229)
667463-85-6

>  <URL> (229)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/01192109392D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (230)
2555

>  <Formula> (230)
C21H16FN7

>  <MolWeight> (230)
385.3970432

>  <Cat> (230)
S7813

>  <Name> (230)
AMG319

>  <Synonyms> (230)
N/A

>  <Target> (230)
PI3K

>  <Form> (230)
Free Base

>  <CAS> (230)
1608125-21-8

>  <URL> (230)
http://www.selleckchem.com/products/amg319.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/01192109392D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (231)
2567

>  <Formula> (231)
C8H16O2

>  <MolWeight> (231)
144.21144

>  <Cat> (231)
S3944

>  <Name> (231)
Valproic acid

>  <Synonyms> (231)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (231)
HDAC1

>  <Form> (231)
free base

>  <CAS> (231)
99-66-1

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

$$$$
S3788 Carvacrol.cdx
csChFnd80/01192109392D

 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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M  END
>  <Mol_ID> (232)
2582

>  <Formula> (232)
C10H14O

>  <MolWeight> (232)
150.21756

>  <Cat> (232)
S3788

>  <Name> (232)
Carvacrol

>  <Synonyms> (232)
cymophenol

>  <Target> (232)
Others

>  <Form> (232)
free base

>  <CAS> (232)
499-75-2

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

$$$$
Minocycline hydrochloride.cdx
csChFnd80/01192109392D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (233)
2605

>  <Formula> (233)
C23H28ClN3O7

>  <MolWeight> (233)
493.93732

>  <Cat> (233)
S4226

>  <Name> (233)
Minocycline HCl

>  <Synonyms> (233)
N/A

>  <Target> (233)
Antifectio

>  <Form> (233)
Hydrochloride

>  <CAS> (233)
13614-98-7

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

$$$$
AZD1080.cdx
csChFnd80/01192109392D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (234)
2607

>  <Formula> (234)
C19H18N4O2

>  <MolWeight> (234)
334.37182

>  <Cat> (234)
S7145

>  <Name> (234)
AZD1080

>  <Synonyms> (234)
N/A

>  <Target> (234)
GSK-3

>  <Form> (234)
Free Base

>  <CAS> (234)
612487-72-6

>  <URL> (234)
http://www.selleckchem.com/products/azd1080.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/01192109392D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (235)
2614

>  <Formula> (235)
C15H11ClN2OS

>  <MolWeight> (235)
302.77864

>  <Cat> (235)
S7176

>  <Name> (235)
SKI II

>  <Synonyms> (235)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (235)
S1P Receptor

>  <Form> (235)
Free Base

>  <CAS> (235)
312636-16-1

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

$$$$
purmorphamine.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (236)
2617

>  <Formula> (236)
C31H32N6O2

>  <MolWeight> (236)
520.62478

>  <Cat> (236)
S3042

>  <Name> (236)
Purmorphamine

>  <Synonyms> (236)
N/A

>  <Target> (236)
Hedgehog/Smoothened

>  <Form> (236)
Free Base

>  <CAS> (236)
483367-10-8

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

$$$$
brefeldin A.cdx
csChFnd80/01192109392D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (237)
2619

>  <Formula> (237)
C16H24O4

>  <MolWeight> (237)
280.35936

>  <Cat> (237)
S7046

>  <Name> (237)
Brefeldin A 

>  <Synonyms> (237)
BFA

>  <Target> (237)
ATPase

>  <Form> (237)
Free Base

>  <CAS> (237)
20350-15-6

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

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (238)
2625

>  <Formula> (238)
C16H10BrN3O2

>  <MolWeight> (238)
356.1735

>  <Cat> (238)
S7198

>  <Name> (238)
BIO

>  <Synonyms> (238)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (238)
GSK-3

>  <Form> (238)
Free Base

>  <CAS> (238)
667463-62-9

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

$$$$
OAC1.cdx
csChFnd80/01192109392D

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300586-90-7

>  <URL> (239)
http://www.selleckchem.com/products/oac1.html

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2629

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C17H13N5

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RepSox

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E-616452, SJN 2511

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TGF-beta/Smad

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Free Base

>  <CAS> (240)
446859-33-2

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

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GSK-3

>  <Form> (241)
Free Base

>  <CAS> (241)
486424-20-8

>  <URL> (241)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
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>  <Mol_ID> (242)
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ZM 39923 HCl

>  <Synonyms> (242)
N/A

>  <Target> (242)
JAK

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HCl

>  <CAS> (242)
1021868-92-7

>  <URL> (242)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
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Dehydrogenase

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Free Base

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91396-88-2

>  <URL> (243)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

$$$$
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Ro 31-8220 Mesylate

>  <Synonyms> (244)
Bisindolylmaleimide IX Mesylate

>  <Target> (244)
PKC

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Mesylate

>  <CAS> (244)
138489-18-6

>  <URL> (244)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
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csChFnd80/01192109392D

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C15H17FN6O2S

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CZC24832

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N/A

>  <Target> (245)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (245)
Free Base

>  <CAS> (245)
1159824-67-5

>  <URL> (245)
http://www.selleckchem.com/products/czc24832.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/01192109392D

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2650

>  <Formula> (246)
C24H27Cl2N5O

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>  <Cat> (246)
S7306

>  <Name> (246)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (246)
BML-275,Compound C

>  <Target> (246)
AMPK

>  <Form> (246)
Dihydrochloride

>  <CAS> (246)
1219168-18-9

>  <URL> (246)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
pimozide.cdx
csChFnd80/01192109392D

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C28H29F2N3O

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pimozide

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N/A

>  <Target> (247)
Others

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Free Base

>  <CAS> (247)
2062-78-4

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

$$$$
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Thioridazine hydrochloride

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hydrochloride 

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130-61-0

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1059734-66-5

>  <URL> (249)
http://www.selleckchem.com/products/bms-833923.html

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JAK

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Free Base

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945755-56-6

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http://www.selleckchem.com/products/stf-118804.html

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1243244-14-5

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487021-52-3

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TGF-beta/Smad

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Free Base

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1431985-92-0

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http://www.selleckchem.com/products/k02288.html

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Gamma-secretase

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313967-18-9

>  <URL> (258)
http://www.selleckchem.com/products/fli-06.html

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LDN193189 HCl

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N/A

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TGF-beta/Smad

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Hydrochloride

>  <CAS> (259)
1062368-62-0

>  <URL> (259)
http://www.selleckchem.com/products/ldn-193189-HCl.html

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676596-65-9

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>  <Mol_ID> (277)
2872

>  <Formula> (277)
C19H17NO3

>  <MolWeight> (277)
307.34318

>  <Cat> (277)
S7310

>  <Name> (277)
SF1670 (PTEN inhibitor)

>  <Synonyms> (277)
N/A

>  <Target> (277)
PTEN

>  <Form> (277)
Free Base

>  <CAS> (277)
345630-40-2

>  <URL> (277)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (278)
2873

>  <Formula> (278)
C22H20FN3O2

>  <MolWeight> (278)
377.4115032

>  <Cat> (278)
S7566

>  <Name> (278)
IM-12

>  <Synonyms> (278)
N/A

>  <Target> (278)
GSK-3

>  <Form> (278)
Free Base

>  <CAS> (278)
1129669-05-1

>  <URL> (278)
http://www.selleckchem.com/products/im-12.html

$$$$
filgotinib.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (279)
2891

>  <Formula> (279)
C21H23N5O3S

>  <MolWeight> (279)
425.50402

>  <Cat> (279)
S7605

>  <Name> (279)
Filgotinib£¨GLPG0643)

>  <Synonyms> (279)
N/A

>  <Target> (279)
JAK

>  <Form> (279)
Free Base

>  <CAS> (279)
1206161-97-8

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

$$$$
PF-04449913.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (280)
2895

>  <Formula> (280)
C21H22N6O

>  <MolWeight> (280)
374.43898

>  <Cat> (280)
S7160

>  <Name> (280)
Glasdegib (PF-04449913)

>  <Synonyms> (280)
N/A

>  <Target> (280)
Hedgehog/Smoothened

>  <Form> (280)
Free Base

>  <CAS> (280)
1095173-27-5

>  <URL> (280)
http://www.selleckchem.com/products/glasdegib-pf-04449913.html

$$$$
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csChFnd80/01192109392D

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2934

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C13H10BrN3O4

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352.1402

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SB225002

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N/A

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CXCR

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Free Base

>  <CAS> (286)
182498-32-4

>  <URL> (286)
http://www.selleckchem.com/products/sb225002.html

$$$$
Reversine.cdx
csChFnd80/01192109392D

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2952

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C21H27N7O

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393.48538

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S7588

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Reversine

>  <Synonyms> (287)
N/A

>  <Target> (287)
Adenosine Receptor

>  <Form> (287)
Free Base

>  <CAS> (287)
656820-32-5

>  <URL> (287)
http://www.selleckchem.com/products/reversine.html

$$$$
Piperlongumine.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (288)
2955

>  <Formula> (288)
C17H19NO5

>  <MolWeight> (288)
317.33646

>  <Cat> (288)
S7551

>  <Name> (288)
Piperlongumine

>  <Synonyms> (288)
PPLGM

>  <Target> (288)
ROS,CRM

>  <Form> (288)
Free Base

>  <CAS> (288)
20069-09-4

>  <URL> (288)
http://www.selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/01192109392D

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2956

>  <Formula> (289)
C17H16ClN3O

>  <MolWeight> (289)
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N/A

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Akt

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Free Base

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1056901-62-2

>  <URL> (289)
http://www.selleckchem.com/products/at13148.html

$$$$
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csChFnd80/01192109392D

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PI3K

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Free Base

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934526-89-3

>  <URL> (303)
http://www.selleckchem.com/products/pilaralisib-xl147.html

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N/A

>  <Target> (304)
ERK

>  <Form> (304)
Free Base

>  <CAS> (304)
869886-67-9

>  <URL> (304)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

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csChFnd80/01192109392D

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C24H25N5O

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S7840

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Dorsomorphin (Compound C)

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Compound C, BML-275

>  <Target> (305)
AMPK

>  <Form> (305)
Free Base

>  <CAS> (305)
866405-64-3

>  <URL> (305)
http://www.selleckchem.com/products/dorsomorphin.html

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C26H28N4O3

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DEL-22379

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ERK

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181223-80-3

>  <URL> (306)
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STAT

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83280-65-3

>  <URL> (307)
http://www.selleckchem.com/products/napabucasin-bbi608.html

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N/A

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Gamma-secretase

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292632-98-5

>  <URL> (309)
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165682-93-9

>  <URL> (310)
http://www.selleckchem.com/products/o4i2.html

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JAK

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Free Base

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944118-01-8

>  <URL> (311)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

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459147-39-8

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http://www.selleckchem.com/products/sw033291.html

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944842-54-0

>  <URL> (314)
http://www.selleckchem.com/products/decernotinib-vx-509.html

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>  <Mol_ID> (317)
3105

>  <Formula> (317)
C27H34N4O5

>  <MolWeight> (317)
494.58266

>  <Cat> (317)
S7238

>  <Name> (317)
NVP-TNKS656

>  <Synonyms> (317)
N/A

>  <Target> (317)
PARP

>  <Form> (317)
Free Base

>  <CAS> (317)
1419949-20-4

>  <URL> (317)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (318)
3110

>  <Formula> (318)
C15H23ClFN3O4S

>  <MolWeight> (318)
395.8772232

>  <Cat> (318)
S7995

>  <Name> (318)
Ripasudil (K-115)

>  <Synonyms> (318)
N/A

>  <Target> (318)
ROCK

>  <Form> (318)
Hydrochloride dihydrate

>  <CAS> (318)
887375-67-9

>  <URL> (318)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (319)
3121

>  <Formula> (319)
C26H24N6O2

>  <MolWeight> (319)
452.50776

>  <Cat> (319)
S7936

>  <Name> (319)
KD025 (SLx-2119)

>  <Synonyms> (319)
N/A

>  <Target> (319)
ROCK

>  <Form> (319)
Free Base

>  <CAS> (319)
911417-87-3

>  <URL> (319)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (320)
3127

>  <Formula> (320)
C19H14O4

>  <MolWeight> (320)
306.31206

>  <Cat> (320)
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>  <Name> (320)
STA-21

>  <Synonyms> (320)
N/A

>  <Target> (320)
STAT

>  <Form> (320)
Free Base

>  <CAS> (320)
111540-00-2

>  <URL> (320)
http://www.selleckchem.com/products/sta-21.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/01192109392D

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1383716-33-3

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142273-20-9

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

$$$$
Oclacitinib maleate.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (326)
3149

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C19H27N5O6S

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453.51258

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S8195

>  <Name> (326)
Oclacitinib maleate

>  <Synonyms> (326)
PF-03394197

>  <Target> (326)
JAK

>  <Form> (326)
Free Base

>  <CAS> (326)
1640292-55-2

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

$$$$
Halofuginone.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (327)
3158

>  <Formula> (327)
C16H17BrClN3O3

>  <MolWeight> (327)
414.68148

>  <Cat> (327)
S8144

>  <Name> (327)
Halofuginone

>  <Synonyms> (327)
N/A

>  <Target> (327)
Others

>  <Form> (327)
Free Base

>  <CAS> (327)
55837-20-2

>  <URL> (327)
http://www.selleckchem.com/products/halofuginone.html

$$$$
PIK-III.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (328)
3162

>  <Formula> (328)
C17H17N7

>  <MolWeight> (328)
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S7683

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PIK-III

>  <Synonyms> (328)
VPS34-IN2

>  <Target> (328)
Autophagy

>  <Form> (328)
Free Base

>  <CAS> (328)
1383716-40-2

>  <URL> (328)
http://www.selleckchem.com/products/pik-iii.html

$$$$
SMER28.cdx
csChFnd80/01192109392D

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SMER28

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N/A

>  <Target> (329)
Autophagy

>  <Form> (329)
Free Base

>  <CAS> (329)
307538-42-7

>  <URL> (329)
http://www.selleckchem.com/products/smer28.html

$$$$
ML264.cdx
csChFnd80/01192109392D

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3166

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C17H21ClN2O4S

>  <MolWeight> (330)
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>  <Cat> (330)
S8196

>  <Name> (330)
ML264

>  <Synonyms> (330)
CID-51003603

>  <Target> (330)
Others

>  <Form> (330)
Free Base

>  <CAS> (330)
1550008-55-3

>  <URL> (330)
http://www.selleckchem.com/products/ml264.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/01192109392D

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PI3K

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1254036-66-2

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

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Adrenergic Receptor

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Free Base

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159182-43-1

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

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310456-65-6

>  <URL> (337)
http://www.selleckchem.com/products/imr-1.html

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331001-62-8

>  <URL> (338)
http://www.selleckchem.com/products/iq-1.html

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>  <Mol_ID> (339)
3243

>  <Formula> (339)
C23H26N4O3

>  <MolWeight> (339)
406.47754

>  <Cat> (339)
S8322

>  <Name> (339)
LY3023414

>  <Synonyms> (339)
GTPL8918

>  <Target> (339)
Akt

>  <Form> (339)
Free Base

>  <CAS> (339)
1386874-06-1

>  <URL> (339)
http://www.selleckchem.com/products/ly3023414.html

$$$$
LY333531.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (340)
3256

>  <Formula> (340)
C28H29ClN4O3

>  <MolWeight> (340)
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>  <Cat> (340)
S7663

>  <Name> (340)
LY333531 HCl

>  <Synonyms> (340)
Ruboxistaurin

>  <Target> (340)
PKC

>  <Form> (340)
hydrochloride

>  <CAS> (340)
169939-93-9

>  <URL> (340)
http://www.selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (341)
3260

>  <Formula> (341)
C28H28ClN3O3

>  <MolWeight> (341)
489.99322

>  <Cat> (341)
S7959

>  <Name> (341)
SIS3 HCl

>  <Synonyms> (341)
N/A

>  <Target> (341)
TGF-beta/Smad

>  <Form> (341)
hydrochloride

>  <CAS> (341)
521984-48-5

>  <URL> (341)
http://www.selleckchem.com/products/sis3.html

$$$$
MK-4101.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (342)
3261

>  <Formula> (342)
C24H24F5N5O

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>  <Cat> (342)
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MK-4101

>  <Synonyms> (342)
N/A

>  <Target> (342)
Hedgehog/Smoothened

>  <Form> (342)
Free Base

>  <CAS> (342)
935273-79-3

>  <URL> (342)
http://www.selleckchem.com/products/mk-4101.html

$$$$
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3262

>  <Formula> (343)
C12H15N2O11V

>  <MolWeight> (343)
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>  <Cat> (343)
S8174

>  <Name> (343)
VO-Ohpic trihydrate

>  <Synonyms> (343)
N/A

>  <Target> (343)
Others

>  <Form> (343)
trihydrate

>  <CAS> (343)
476310-60-8

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

$$$$
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CXCR

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Free Base

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1337878-62-2

>  <URL> (344)
http://www.selleckchem.com/products/ati-2341.html

$$$$
KYA1797K.cdx
csChFnd80/01192109392D

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KYA1797K

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N/A

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Wnt/beta-catenin

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potassium salt

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1956356-56-1

>  <URL> (345)
http://www.selleckchem.com/products/kya1797k.html

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AZD8835.cdx
csChFnd80/01192109392D

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C22H31N9O3

>  <MolWeight> (346)
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AZD8835

>  <Synonyms> (346)
N/A

>  <Target> (346)
PI3K

>  <Form> (346)
Free Base

>  <CAS> (346)
1620576-64-8

>  <URL> (346)
http://www.selleckchem.com/products/azd8835.html

$$$$
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M  END
>  <Mol_ID> (347)
3284

>  <Formula> (347)
C23H28N8O

>  <MolWeight> (347)
432.52142

>  <Cat> (347)
S7144

>  <Name> (347)
BMS-911543

>  <Synonyms> (347)
N/A

>  <Target> (347)
JAK

>  <Form> (347)
Free Base

>  <CAS> (347)
1271022-90-2

>  <URL> (347)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (348)
3286

>  <Formula> (348)
C23H22O6

>  <MolWeight> (348)
394.41718

>  <Cat> (348)
S8132

>  <Name> (348)
Deguelin

>  <Synonyms> (348)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (348)
Akt

>  <Form> (348)
Free Base

>  <CAS> (348)
522-17-8

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

$$$$
Alantolactone.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (349)
3299

>  <Formula> (349)
C15H20O2

>  <MolWeight> (349)
232.3181

>  <Cat> (349)
S8318

>  <Name> (349)
Alantolactone

>  <Synonyms> (349)
helenin, helenine, Eupatal

>  <Target> (349)
Others

>  <Form> (349)
Free Base

>  <CAS> (349)
546-43-0

>  <URL> (349)
http://www.selleckchem.com/products/alantolactone.html

$$$$
SKL2001.cdx
csChFnd80/01192109392D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (350)
3301

>  <Formula> (350)
C14H14N4O3

>  <MolWeight> (350)
286.28596

>  <Cat> (350)
S8320

>  <Name> (350)
SKL2001

>  <Synonyms> (350)
N/A

>  <Target> (350)
Wnt/beta-catenin

>  <Form> (350)
Free Base

>  <CAS> (350)
909089-13-0

>  <URL> (350)
http://www.selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (351)
3311

>  <Formula> (351)
C29H31ClN8O5

>  <MolWeight> (351)
607.06004

>  <Cat> (351)
S7687

>  <Name> (351)
GSK269962 HCl

>  <Synonyms> (351)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (351)
ROCK

>  <Form> (351)
hydrochloride

>  <CAS> (351)
850664-21-0(free base)

>  <URL> (351)
http://www.selleckchem.com/products/gsk269962.html

$$$$
HPI-4 (Ciliobrevin A).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (352)
3319

>  <Formula> (352)
C17H9Cl2N3O2

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S8249

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HPI-4 (Ciliobrevin A)

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Hedgehog Pathway Inhibitor 4

>  <Target> (352)
Hedgehog/Smoothened

>  <Form> (352)
Free Base

>  <CAS> (352)
302803-72-1

>  <URL> (352)
http://www.selleckchem.com/products/hpi-4-ciliobrevin-a.html

$$$$
GDC-0084.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (353)
3323

>  <Formula> (353)
C18H22N8O2

>  <MolWeight> (353)
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S8163

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GDC-0084

>  <Synonyms> (353)
N/A

>  <Target> (353)
PI3K

>  <Form> (353)
Free Base

>  <CAS> (353)
1382979-44-3

>  <URL> (353)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
ML-7.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (354)
3327

>  <Formula> (354)
C15H18ClIN2O2S

>  <MolWeight> (354)
452.73809

>  <Cat> (354)
S8388

>  <Name> (354)
ML-7 HCl

>  <Synonyms> (354)
N/A

>  <Target> (354)
Others

>  <Form> (354)
hydrochloride

>  <CAS> (354)
110448-33-4

>  <URL> (354)
http://www.selleckchem.com/products/ml-7.html

$$$$
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>  <Mol_ID> (355)
3337

>  <Formula> (355)
C17H16N6O3S2

>  <MolWeight> (355)
416.47734

>  <Cat> (355)
S8334

>  <Name> (355)
XMU-MP-1

>  <Synonyms> (355)
N/A

>  <Target> (355)
Hippo pathway

>  <Form> (355)
Free Base

>  <URL> (355)
http://www.selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/01192109392D

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3338

>  <Formula> (356)
C16H18Cl2N4O

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353.24632

>  <Cat> (356)
S7935

>  <Name> (356)
Y-39983 HCl

>  <Synonyms> (356)
Y-33075 HCl

>  <Target> (356)
ROCK

>  <Form> (356)
dihydrochloride

>  <CAS> (356)
173897-44-4

>  <URL> (356)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/01192109392D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (357)
3342

>  <Formula> (357)
C21H20N2O3S

>  <MolWeight> (357)
380.4601

>  <Cat> (357)
S8448

>  <Name> (357)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (357)
N/A

>  <Target> (357)
ROCK

>  <Form> (357)
Free Base

>  <CAS> (357)
557782-81-7

>  <URL> (357)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
GSK2269557.cdx
csChFnd80/01192109392D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (358)
3349

>  <Formula> (358)
C26H28N6O

>  <MolWeight> (358)
440.54012

>  <Cat> (358)
S7937

>  <Name> (358)
GSK2269557

>  <Synonyms> (358)
Nemiralisib

>  <Target> (358)
PI3K

>  <Form> (358)
Free Base

>  <CAS> (358)
1254036-71-9

>  <URL> (358)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
LY3039478.cdx
csChFnd80/01192109392D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (359)
3352

>  <Formula> (359)
C22H23F3N4O4

>  <MolWeight> (359)
464.4376296

>  <Cat> (359)
S7169

>  <Name> (359)
LY3039478

>  <Synonyms> (359)
N/A

>  <Target> (359)
Gamma-secretase

>  <Form> (359)
Free Base

>  <CAS> (359)
1421438-81-4

>  <URL> (359)
http://www.selleckchem.com/products/ly3039478.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/01192109392D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (360)
3363

>  <Formula> (360)
C21H25N7O

>  <MolWeight> (360)
391.4695

>  <Cat> (360)
S8456

>  <Name> (360)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (360)
N/A

>  <Target> (360)
PI3K

>  <Form> (360)
Free Base

>  <CAS> (360)
1383716-46-8

>  <URL> (360)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (364)
3376

>  <Formula> (364)
C24H44Br6N6

>  <MolWeight> (364)
896.07036

>  <Cat> (364)
S2879

>  <Name> (364)
AMD3465 hexahydrobromide

>  <Synonyms> (364)
N/A

>  <Target> (364)
CXCR

>  <Form> (364)
HBr

>  <CAS> (364)
185991-07-5, 185991-24-6 (free base)

>  <URL> (364)
http://www.selleckchem.com/products/amd3465.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (365)
3389

>  <Formula> (365)
C19H15N3O2

>  <MolWeight> (365)
317.3413

>  <Cat> (365)
S7954

>  <Name> (365)
CP21R7 (CP21)

>  <Synonyms> (365)
N/A

>  <Target> (365)
Wnt/beta-catenin

>  <Form> (365)
Free Base

>  <CAS> (365)
125314-13-8

>  <URL> (365)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (366)
3391

>  <Formula> (366)
C15H18O2

>  <MolWeight> (366)
230.30222

>  <Cat> (366)
S8291

>  <Name> (366)
Atractylenolide I

>  <Synonyms> (366)
N/A

>  <Target> (366)
Immunology & Inflammation related

>  <Form> (366)
Free Base

>  <CAS> (366)
73069-13-3
73069-13-3

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

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/01192109392D

 23 23  0  0  0  0  0  0  0  0999 V2000
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A   23
xH2O
M  END
>  <Mol_ID> (367)
3394

>  <Formula> (367)
C14H18ClN3O3RS

>  <MolWeight> (367)
343.82902

>  <Cat> (367)
S8208

>  <Name> (367)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (367)
N/A

>  <Target> (367)
ROCK

>  <Form> (367)
hydrochloride

>  <CAS> (367)
155558-32-0 (HCl salt)

>  <URL> (367)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
TGR-1202.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (368)
3399

>  <Formula> (368)
C31H24F3N5O3

>  <MolWeight> (368)
571.5491696

>  <Cat> (368)
S8194

>  <Name> (368)
TGR-1202

>  <Synonyms> (368)
Rp-5264

>  <Target> (368)
PI3K

>  <Form> (368)
Free Base

>  <CAS> (368)
1532533-67-7

>  <URL> (368)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
LF3.cdx
csChFnd80/01192109392D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (369)
3408

>  <Formula> (369)
C20H24N4O2S2

>  <MolWeight> (369)
416.56016

>  <Cat> (369)
S8474

>  <Name> (369)
LF3

>  <Synonyms> (369)
N/A

>  <Target> (369)
Wnt/beta-catenin

>  <Form> (369)
Free Base

>  <CAS> (369)
664969-54-4

>  <URL> (369)
http://www.selleckchem.com/products/lf3.html

$$$$
Troglitazone (CS-045).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (370)
3410

>  <Formula> (370)
C24H27NO5S

>  <MolWeight> (370)
441.53988

>  <Cat> (370)
S8432

>  <Name> (370)
Troglitazone (CS-045)

>  <Synonyms> (370)
Rezulin, Romglizone, Prelay, CS-045, CS045, CS 045, Romozin

>  <Target> (370)
PPAR

>  <Form> (370)
Free Base

>  <CAS> (370)
97322-87-7

>  <URL> (370)
http://www.selleckchem.com/products/troglitazone-cs-045.html

$$$$
GSK180736A.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (371)
3412

>  <Formula> (371)
C19H16FN5O2

>  <MolWeight> (371)
365.3610432

>  <Cat> (371)
S8489

>  <Name> (371)
GSK180736A

>  <Synonyms> (371)
N/A

>  <Target> (371)
ROCK

>  <Form> (371)
Free Base

>  <CAS> (371)
817194-38-0

>  <URL> (371)
http://www.selleckchem.com/products/gsk180736a.html

$$$$
BIX01294 3HCl.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (372)
3417

>  <Formula> (372)
C28H41Cl3N6O2

>  <MolWeight> (372)
600.02314

>  <Cat> (372)
S8006

>  <Name> (372)
BIX 01294

>  <Synonyms> (372)
N/A

>  <Target> (372)
Histone Methyltransferase

>  <Form> (372)
trihydrochloride

>  <CAS> (372)
1392399-03-9

>  <URL> (372)
http://www.selleckchem.com/products/bix-01294.html

$$$$
GDC-0326.cdx
csChFnd80/01192109392D

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>  <Target> (374)
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free base

>  <CAS> (374)
1129403-56-0

>  <URL> (374)
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free base

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1174428-47-7

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N/A

>  <Target> (376)
PI3K¦Ã

>  <CAS> (376)
1693758-51-8

>  <URL> (376)
http://www.selleckchem.com/products/ipi-549.html

$$$$
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>  <Formula> (377)
C19H17N5O3

>  <MolWeight> (377)
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>  <Cat> (377)
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>  <Synonyms> (377)
N/A

>  <Target> (377)
PI3K¦Á 

>  <Form> (377)
Free base

>  <CAS> (377)
1268454-23-4

>  <URL> (377)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

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HJC0152.cdx
csChFnd80/01192109392D

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>  <Formula> (378)
C15H14Cl3N3O4

>  <MolWeight> (378)
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>  <Cat> (378)
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>  <Name> (378)
HJC0152

>  <Synonyms> (378)
N/A

>  <Target> (378)
STAT3

>  <Form> (378)
hydrochloride

>  <CAS> (378)
1420290-99-8

>  <URL> (378)
http://www.selleckchem.com/products/hjc0152.html

$$$$
Autophinib.cdx
csChFnd80/01192109392D

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>  <Formula> (379)
C14H11ClN6O3

>  <MolWeight> (379)
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>  <Cat> (379)
S8596

>  <Name> (379)
Autophinib

>  <Synonyms> (379)
N/A

>  <Target> (379)
autophagy

>  <Form> (379)
free base

>  <CAS> (379)
1644443-47-9

>  <URL> (379)
http://www.selleckchem.com/products/autophinib.html

$$$$
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csChFnd80/01192109392D

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>  <Formula> (380)
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>  <MolWeight> (380)
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>  <Cat> (380)
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LW 6

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>  <Target> (380)
HIF-1¦Á

>  <Form> (380)
free base

>  <CAS> (380)
934593-90-5

>  <URL> (380)
http://www.selleckchem.com/products/lw-6.html

$$$$
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>  <Mol_ID> (381)
3486

>  <Formula> (381)
C22H27N7O2S

>  <MolWeight> (381)
453.56048

>  <Cat> (381)
S8534

>  <Name> (381)
LY3214996

>  <Synonyms> (381)
N/A

>  <Target> (381)
ERK1,ERK2

>  <Form> (381)
free base

>  <CAS> (381)
1951483-29-6

>  <URL> (381)
http://www.selleckchem.com/products/ly3214996.html

$$$$
S3620 ¦Â-Glycerophosphate (sodium salt hydrate).cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (382)
3492

>  <Formula> (382)
C3H17Na2O11P

>  <MolWeight> (382)
306.113781

>  <Cat> (382)
S3620

>  <Name> (382)
¦Â-Glycerophosphate sodium salt hydrate

>  <Synonyms> (382)
N/A

>  <Target> (382)
phosphotase

>  <Form> (382)
sodium salt hydrate

>  <CAS> (382)
13408-09-8

>  <URL> (382)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (383)
3495

>  <Formula> (383)
C14H21NO3S

>  <MolWeight> (383)
283.38644

>  <Cat> (383)
S8640

>  <Name> (383)
Reparixin (Repertaxin)

>  <Synonyms> (383)
N/A

>  <Target> (383)
CXCR1,CXCR2,CXCL8

>  <Form> (383)
free base

>  <CAS> (383)
266359-83-5

>  <URL> (383)
http://www.selleckchem.com/products/reparixin-repertaxin.html

$$$$
LYN-1604.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (384)
3507

>  <Formula> (384)
C33H45Cl4N3O2

>  <MolWeight> (384)
657.5413

>  <Cat> (384)
S8597

>  <Name> (384)
LYN-1604

>  <Synonyms> (384)
N/A

>  <Target> (384)
ULK1

>  <Form> (384)
dihydrochloride

>  <CAS> (384)
2088939-99-3(free base)

>  <URL> (384)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
GNF-6231.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (390)
3550

>  <Formula> (390)
C23H27N3O5S2

>  <MolWeight> (390)
489.60758

>  <Cat> (390)
S8661

>  <Name> (390)
CA3

>  <Synonyms> (390)
N/A

>  <Target> (390)
YAP/TEAD interaction

>  <Form> (390)
free base

>  <CAS> (390)
300802-28-2

>  <URL> (390)
http://www.selleckchem.com/products/ca3.html

$$$$
IPI-3063.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (391)
3566

>  <Formula> (391)
C25H25N7O2

>  <MolWeight> (391)
455.5117

>  <Cat> (391)
S7335

>  <Name> (391)
IPI-3063

>  <Synonyms> (391)
N/A

>  <Target> (391)
p110¦Ä

>  <Form> (391)
free base

>  <CAS> (391)
1425043-73-7

>  <URL> (391)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/01192109392D

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    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  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
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M  END
>  <Mol_ID> (392)
3578

>  <Formula> (392)
C6H6Na3O9P

>  <MolWeight> (392)
322.049511

>  <Cat> (392)
S5115

>  <Name> (392)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (392)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (392)
Others

>  <Form> (392)
sodium salt

>  <CAS> (392)
66170-10-3

>  <URL> (392)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (393)
3581

>  <Formula> (393)
C15H19N5O

>  <MolWeight> (393)
285.34426

>  <Cat> (393)
S8538

>  <Name> (393)
PF-06651600

>  <Synonyms> (393)
N/A

>  <Target> (393)
JAK3 

>  <Form> (393)
free base

>  <CAS> (393)
1792180-81-4

>  <URL> (393)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
NGP 555.cdx
csChFnd80/01192109392D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (394)
3600

>  <Formula> (394)
C23H23FN4S

>  <MolWeight> (394)
406.5189232

>  <Cat> (394)
S8603

>  <Name> (394)
NGP 555

>  <Synonyms> (394)
N/A

>  <Target> (394)
¦Ã-secretase

>  <Form> (394)
free base

>  <CAS> (394)
1304630-27-0

>  <URL> (394)
http://www.selleckchem.com/products/npg-555.html

$$$$
2-D08.cdx
csChFnd80/01192109392D

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M  END
>  <Mol_ID> (395)
3607

>  <Formula> (395)
C15H10O5

>  <MolWeight> (395)
270.2369

>  <Cat> (395)
S8696

>  <Name> (395)
2-D08
2-D08

>  <Synonyms> (395)
2',3',4'-trihydroxy flavone

>  <Target> (395)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (395)
free base

>  <CAS> (395)
144707-18-6

>  <URL> (395)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (396)
3637

>  <Formula> (396)
C26H23F4N9O

>  <MolWeight> (396)
553.5141328

>  <Cat> (396)
S7812

>  <Name> (396)
Itacitinib (INCB39110)

>  <Synonyms> (396)
N/A

>  <Target> (396)
JAK

>  <Form> (396)
free base

>  <CAS> (396)
1334298-90-6

>  <URL> (396)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
IWP-O1.cdx
csChFnd80/01192109392D

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>  <Mol_ID> (397)
3640

>  <Formula> (397)
C26H20N6O

>  <MolWeight> (397)
432.4766

>  <Cat> (397)
S8645

>  <Name> (397)
IWP-O1

>  <Synonyms> (397)
N/A

>  <Target> (397)
Wnt/beta-catenin

>  <Form> (397)
free base

>  <CAS> (397)
2074607-48-8

>  <URL> (397)
http://selleckchem.com/products/iwp-O1.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/01192109392D

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>  <Mol_ID> (398)
3684

>  <Formula> (398)
C23H18FN5O2

>  <MolWeight> (398)
415.4197232

>  <Cat> (398)
S8672

>  <Name> (398)
Tenalisib (RP6530)

>  <Synonyms> (398)
N/A

>  <Target> (398)
PI3K

>  <Form> (398)
free base

>  <CAS> (398)
1639417-53-0

>  <URL> (398)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
AS1517499.cdx
csChFnd80/01192109392D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 Cl  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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  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
 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 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 20  1  0  0  0  0
M  END
>  <Mol_ID> (399)
3685

>  <Formula> (399)
C20H20ClN5O2

>  <MolWeight> (399)
397.8581

>  <Cat> (399)
S8685

>  <Name> (399)
AS1517499

>  <Synonyms> (399)
N/A

>  <Target> (399)
STAT

>  <Form> (399)
free base

>  <CAS> (399)
919486-40-1

>  <URL> (399)
http://selleckchem.com/products/as1517499.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/01192109392D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    4.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    3.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9975    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2503    2.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6150    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (400)
3727

>  <Formula> (400)
C13H18N2O6

>  <MolWeight> (400)
298.29182

>  <Cat> (400)
S5060

>  <Name> (400)
 Metadoxine

>  <Synonyms> (400)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (400)
Others

>  <Form> (400)
salt

>  <CAS> (400)
74536-44-0

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

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/01192109392D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  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
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  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
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (401)
3756

>  <Formula> (401)
C17H21N6O4P

>  <MolWeight> (401)
404.360201

>  <Cat> (401)
S5243

>  <Name> (401)
Ruxolitinib Phosphate

>  <Synonyms> (401)
INCB018424, INC424

>  <Target> (401)
JAK

>  <Form> (401)
phosphate 

>  <CAS> (401)
1092939-17-7

>  <URL> (401)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
bpV (HOpic).cdx
csChFnd80/01192109392D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.5013    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    1.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    3.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2576    1.3197    0.0000 V   0  1  0  0  0  0  0  0  0  0  0  0
   18.0805    2.4523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.2576    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    4.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5740    1.2170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7903    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    0.0000   22.7687    0.0000 K   0  3  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  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (402)
3821

>  <Formula> (402)
C6H4K2NO8V

>  <MolWeight> (402)
347.23596

>  <Cat> (402)
S8651

>  <Name> (402)
bpV (HOpic)

>  <Synonyms> (402)
Bisperoxovanadium(HOpic)

>  <Target> (402)
PTEN

>  <Form> (402)
potassium 

>  <CAS> (402)
722494-26-0

>  <URL> (402)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/01192109392D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (403)
3846

>  <Formula> (403)
C3H8NO6P

>  <MolWeight> (403)
185.072481

>  <Cat> (403)
S5137

>  <Name> (403)
O-Phospho-L-serine

>  <Synonyms> (403)
Dexfosfoserine

>  <Target> (403)
GluR

>  <Form> (403)
free base

>  <CAS> (403)
407-41-0

>  <URL> (403)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/01192109392D

 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
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    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
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    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
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    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> (404)
3886

>  <Formula> (404)
C22H42O2

>  <MolWeight> (404)
338.56768

>  <Cat> (404)
S5383

>  <Name> (404)
Erucic acid

>  <Synonyms> (404)
cis-13-docosenoic acid

>  <Target> (404)
Others

>  <Form> (404)
free base

>  <CAS> (404)
112-86-7

>  <URL> (404)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/01192109392D

 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> (405)
3911

>  <Formula> (405)
C8H6BrN

>  <MolWeight> (405)
196.04394

>  <Cat> (405)
S5439

>  <Name> (405)
5-Bromoindole

>  <Synonyms> (405)
N/A

>  <Target> (405)
GSK-3

>  <Form> (405)
free base

>  <CAS> (405)
10075-50-0

>  <URL> (405)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/01192109392D

 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> (406)
3919

>  <Formula> (406)
C42H68O13

>  <MolWeight> (406)
780.98152

>  <Cat> (406)
S5454

>  <Name> (406)
Saikosaponin D

>  <Synonyms> (406)
N/A

>  <Target> (406)
ATPase

>  <Form> (406)
free base

>  <CAS> (406)
20874-52-6

>  <URL> (406)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/01192109392D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 21 18  1  1  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
 27 31  1  1  0  0  0
 27 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (407)
3922

>  <Formula> (407)
C22H26O11

>  <MolWeight> (407)
466.43524

>  <Cat> (407)
S5457

>  <Name> (407)
Curculigoside

>  <Synonyms> (407)
Curculigoside A

>  <Target> (407)
Immunology & Inflammation related

>  <Form> (407)
free base

>  <CAS> (407)
85643-19-2

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

$$$$
S5464 Psoralidin.cdx
csChFnd80/01192109392D

 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
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    8.4674    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4752    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1572    4.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7210    3.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    2.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    3.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9821    5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2093    6.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  2  0  0  0  0
  8 10  1  0  0  0  0
 11  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (408)
3929

>  <Formula> (408)
C20H16O5

>  <MolWeight> (408)
336.33804

>  <Cat> (408)
S5464

>  <Name> (408)
Psoralidin

>  <Synonyms> (408)
N/A

>  <Target> (408)
Estrogen/progestogen Receptor

>  <Form> (408)
free base

>  <CAS> (408)
18642-23-4

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

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/01192109392D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (409)
3946

>  <Formula> (409)
C14H8O9

>  <MolWeight> (409)
320.20792

>  <Cat> (409)
S5516

>  <Name> (409)
Ellagic Acid hydrate

>  <Synonyms> (409)
N/A

>  <Target> (409)
Casein Kinase

>  <Form> (409)
monohydrate 

>  <CAS> (409)
 314041-08-2

>  <URL> (409)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5521 Eosin Y Disodium Trihydrate.cdx
csChFnd80/01192109392D

 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> (410)
3950

>  <Formula> (410)
C20H6Br4Na2O5

>  <MolWeight> (410)
691.85418

>  <Cat> (410)
S5521

>  <Name> (410)
Eosin Y Disodium

>  <Synonyms> (410)
N/A

>  <Target> (410)
Others

>  <Form> (410)
disodium salt

>  <CAS> (410)
17372-87-1

>  <URL> (410)
http://selleckchem.com/products/eosin-y-disodium.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/01192109392D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5696   20.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8763   20.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9075   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   14.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0035   21.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4859   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2690   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2690   10.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519    9.8138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   10.5056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0519    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4133    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4133    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2088    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2088    7.0080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9792    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9792    7.7127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2088    5.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7746    9.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7746    7.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    6.3163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5577    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    7.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    4.2025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1361    6.3163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1361    4.9069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3406    2.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9193    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    3.5108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7746    2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7021    2.1011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2804    3.5108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4975    1.3966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9193    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804    2.1011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4975    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5586   16.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2136   14.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   11.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 70  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  1  0  0  0
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  7 13  1  0  0  0  0
  7 14  1  1  0  0  0
  9 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 71  1  6  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
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 15 19  1  0  0  0  0
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 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
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 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
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 29 28  1  1  0  0  0
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M  END
>  <Mol_ID> (411)
3969

>  <Formula> (411)
C49H76O20

>  <MolWeight> (411)
985.11574

>  <Cat> (411)
S5554

>  <Name> (411)
Lanatoside C

>  <Synonyms> (411)
N/A

>  <Target> (411)
ATPase

>  <Form> (411)
free base

>  <CAS> (411)
17575-22-3

>  <URL> (411)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5588 Creatine.cdx
csChFnd80/01192109392D

  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
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    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (412)
3994

>  <Formula> (412)
C4H9N3O2

>  <MolWeight> (412)
131.13316

>  <Cat> (412)
S5588

>  <Name> (412)
Creatine

>  <Synonyms> (412)
Methylguanidoacetic acid

>  <Target> (412)
Others

>  <Form> (412)
free base

>  <CAS> (412)
57-00-1

>  <URL> (412)
http://selleckchem.com/products/creatine.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/01192109392D

 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
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   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
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   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
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  6 10  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (413)
4015

>  <Formula> (413)
C20H18O6

>  <MolWeight> (413)
354.35332

>  <Cat> (413)
S3934

>  <Name> (413)
Acetyl Resveratrol

>  <Synonyms> (413)
N/A

>  <Target> (413)
Sirt12

>  <Form> (413)
free base

>  <CAS> (413)
42206-94-0

>  <URL> (413)
http://selleckchem.com/products/.html

$$$$
S5265 TBB.cdx
csChFnd80/01192109392D

 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
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    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
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  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> (414)
4029

>  <Formula> (414)
C6HBr4N3

>  <MolWeight> (414)
434.70824

>  <Cat> (414)
S5265

>  <Name> (414)
TBB

>  <Synonyms> (414)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (414)
Casein Kinase

>  <CAS> (414)
17374-26-4

>  <URL> (414)
http://selleckchem.com/products/tbb.html

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/01192109392D

 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
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  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> (415)
4123

>  <Formula> (415)
C8H8O3

>  <MolWeight> (415)
152.14732

>  <Cat> (415)
S9374

>  <Name> (415)
2',5'-Dihydroxyacetophenone

>  <CAS> (415)
490-78-8

$$$$
S9416 Triptonide.cdx
csChFnd80/01192109392D

 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
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    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
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 20  3  1  0  0  0  0
 22  2  1  0  0  0  0
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 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> (416)
4149

>  <Formula> (416)
C20H22O6

>  <MolWeight> (416)
358.38508

>  <Cat> (416)
S9416

>  <Name> (416)
Triptonide

>  <Form> (416)
free base

>  <CAS> (416)
38647-11-9

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/01192109392D

 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
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    0.0000    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9032    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (417)
4163

>  <Formula> (417)
C22H34O3

>  <MolWeight> (417)
346.50356

>  <Cat> (417)
S9432

>  <Name> (417)
Ginkgolic Acid

>  <Form> (417)
free base

>  <CAS> (417)
22910-60-7

$$$$

csChFnd80/01192109392D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6378    4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    3.4902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    5.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    3.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    6.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9725    6.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7861    4.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    5.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    3.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    1.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    7.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6525    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8853    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (418)
4182

>  <Formula> (418)
C10H14N4O2

>  <MolWeight> (418)
222.24376

>  <Cat> (418)
S5836

>  <Name> (418)
IBMX

>  <Synonyms> (418)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (418)
PDE

>  <Form> (418)
Free Base

>  <CAS> (418)
28822-58-4

>  <URL> (418)
http://www.selleckchem.com/products/ibmx.html

$$$$

csChFnd80/01192109392D

 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> (419)
4209

>  <Formula> (419)
C6H6Br6

>  <MolWeight> (419)
557.53584

>  <Cat> (419)
S5902

>  <Name> (419)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (419)
NSC7908

>  <Target> (419)
JAK

>  <Form> (419)
Free Base

>  <CAS> (419)
1837-91-8

>  <URL> (419)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/01192109392D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   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
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    0.0000    2.1000    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
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (420)
4210

>  <Formula> (420)
C16H15N3O3

>  <MolWeight> (420)
297.3086

>  <Cat> (420)
S5903

>  <Name> (420)
JANEX-1

>  <Synonyms> (420)
WHI-P131

>  <Target> (420)
JAK

>  <Form> (420)
Free Base

>  <CAS> (420)
202475-60-3

>  <URL> (420)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/01192109392D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    0.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262    2.8503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    8.3968    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (421)
4211

>  <Formula> (421)
C16H13Br2N3O3

>  <MolWeight> (421)
455.10072

>  <Cat> (421)
S5904

>  <Name> (421)
WHI-P97

>  <Synonyms> (421)
N/A

>  <Target> (421)
JAK

>  <Form> (421)
Free Base

>  <CAS> (421)
211555-05-4

>  <URL> (421)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/01192109392D

 18 20  0  0  0  0  0  0  0  0999 V2000
    9.8185    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 18  2  0  0  0  0
 10 11  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (422)
4220

>  <Formula> (422)
C15H12N2O

>  <MolWeight> (422)
236.26858

>  <Cat> (422)
S5915

>  <Name> (422)
OAC2

>  <Synonyms> (422)
N/A

>  <Target> (422)
Others

>  <Form> (422)
Free Base

>  <CAS> (422)
6019-39-2

>  <URL> (422)
http://www.selleckchem.com/products/oac2.html

$$$$

csChFnd80/01192109392D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    5.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4046    3.9712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4430    5.1038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1206    5.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    5.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7579    1.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704    3.9407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    5.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (423)
4222

>  <Formula> (423)
C22H23N5O2

>  <MolWeight> (423)
389.45032

>  <Cat> (423)
S5917

>  <Name> (423)
Solcitinib

>  <Synonyms> (423)
GLPG0778, GSK2586184

>  <Target> (423)
JAK

>  <Form> (423)
Free Base

>  <CAS> (423)
1206163-45-2

>  <URL> (423)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/01192109392D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    0.8229    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3047    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6349    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 11 15  1  0  0  0  0
  9 13  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (424)
4224

>  <Formula> (424)
C18H22ClN5S

>  <MolWeight> (424)
375.91878

>  <Cat> (424)
S5919

>  <Name> (424)
KHS101 hydrochloride

>  <Synonyms> (424)
N/A

>  <Target> (424)
Microtubule Associat

>  <Form> (424)
hydrochloride

>  <CAS> (424)
1784282-12-7

>  <URL> (424)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/01192109392D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (425)
4241

>  <Formula> (425)
C16H11Cl2FO2

>  <MolWeight> (425)
325.1617432

>  <Cat> (425)
S7323

>  <Name> (425)
CHF 5074

>  <Synonyms> (425)
N/A

>  <Target> (425)
Gamma-secretase

>  <Form> (425)
Free Base

>  <CAS> (425)
749269-83-8

>  <URL> (425)
http://www.selleckchem.com/products/chf-5074.html

$$$$

csChFnd80/01192109392D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    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
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    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  3 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 20 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 21  1  0  0  0  0
 12 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (426)
4247

>  <Formula> (426)
C23H14ClF3N6O

>  <MolWeight> (426)
482.8450696

>  <Cat> (426)
S8560

>  <Name> (426)
Seletalisib (UCB-5857)

>  <Synonyms> (426)
N/A

>  <Target> (426)
PI3K

>  <Form> (426)
Free Base

>  <CAS> (426)
1362850-20-1

>  <URL> (426)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/01192109392D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  4 10  1  0  0  0  0
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 14 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (427)
4254

>  <Formula> (427)
C14H11ClN4S2

>  <MolWeight> (427)
334.84694

>  <Cat> (427)
S8700

>  <Name> (427)
TP0427736 HCl

>  <Synonyms> (427)
N/A

>  <Target> (427)
ALK

>  <Form> (427)
hydrochloride

>  <CAS> (427)
864374-00-5

>  <URL> (427)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/01192109392D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
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 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (428)
4261

>  <Formula> (428)
C17H20F3N7O2

>  <MolWeight> (428)
411.3816096

>  <Cat> (428)
S8738

>  <Name> (428)
Bimiralisib (PQR309)

>  <Synonyms> (428)
N/A

>  <Target> (428)
PI3K

>  <Form> (428)
Free Base

>  <CAS> (428)
1225037-39-7

>  <URL> (428)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/01192109392D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (429)
4267

>  <Formula> (429)
C21H25F3N6O2

>  <MolWeight> (429)
450.4574096

>  <Cat> (429)
S8752

>  <Name> (429)
leniolisib(CDZ 173)

>  <Synonyms> (429)
N/A

>  <Target> (429)
PI3K

>  <Form> (429)
Free Base

>  <CAS> (429)
1354690-24-6

>  <URL> (429)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/01192109392D

 38 43  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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 14 15  2  0  0  0  0
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 16 13  1  0  0  0  0
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M  END
>  <Mol_ID> (430)
4272

>  <Formula> (430)
C29H24FN7O

>  <MolWeight> (430)
505.5455632

>  <Cat> (430)
S8761

>  <Name> (430)
Adavivint (SM04690)

>  <Synonyms> (430)
N/A

>  <Target> (430)
Wnt/beta-catenin

>  <Form> (430)
Free Base

>  <CAS> (430)
1467093-03-3

>  <URL> (430)
http://www.selleckchem.com/products/adavivint.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/01192109392D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   12.1445    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (431)
4282

>  <Formula> (431)
C29H39NO9

>  <MolWeight> (431)
545.62126

>  <Cat> (431)
S9015

>  <Name> (431)
Homoharringtonine

>  <CAS> (431)
26833-87-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/01192109392D

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csChFnd80/01192109392D

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4416

>  <Formula> (437)
C27H30O15

>  <MolWeight> (437)
594.5181

>  <Cat> (437)
S9190

>  <Name> (437)
Oroxin B

>  <Form> (437)
free base

>  <CAS> (437)
114482-86-9

$$$$

csChFnd80/01192109392D

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4436

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C16H11N3O2

>  <MolWeight> (438)
277.27744

>  <Cat> (438)
S2009

>  <Name> (438)
Indirubin-3'-monoxime

>  <Synonyms> (438)
Indirubin-3'-oxime

>  <Target> (438)
CDK

>  <Form> (438)
Free Base

>  <CAS> (438)
160807-49-8

>  <URL> (438)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/01192109392D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 19  3  2  0  0  0  0
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4476

>  <Formula> (439)
C19H21N3O2S

>  <MolWeight> (439)
355.45394

>  <Cat> (439)
S2070

>  <Name> (439)
ISCK03

>  <Synonyms> (439)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (439)
c-Kit

>  <Form> (439)
Free Base

>  <CAS> (439)
945526-43-2

>  <URL> (439)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/01192109392D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (440)
4488

>  <Formula> (440)
C19H18O8

>  <MolWeight> (440)
374.34142

>  <Cat> (440)
S9288

>  <Name> (440)
Casticin

>  <Form> (440)
free base

>  <CAS> (440)
479-91-4

$$$$

csChFnd80/01192109392D

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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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  9 17  1  0  0  0  0
 17 18  3  0  0  0  0
M  END
>  <Mol_ID> (441)
4707

>  <Formula> (441)
C13H21N5O

>  <MolWeight> (441)
263.33874

>  <Cat> (441)
S4366

>  <Name> (441)
Pinacidil 

>  <Synonyms> (441)
N/A

>  <Target> (441)
Others

>  <Form> (441)
Free Base

>  <CAS> (441)
85371-64-8

>  <URL> (441)
http://www.selleckchem.com/products/pinacidil.html

$$$$

csChFnd80/01192109392D

 42 44  0  0  0  0  0  0  0  0999 V2000
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    4.9589    9.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3800    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
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 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
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 22  9  1  0  0  0  0
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 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (442)
4725

>  <Formula> (442)
C29H37N7O5S

>  <MolWeight> (442)
595.71298

>  <Cat> (442)
S5078

>  <Name> (442)
Osimertinib mesylate

>  <Synonyms> (442)
AZD9291 mesylate

>  <Target> (442)
EGFR

>  <Form> (442)
mesylate

>  <CAS> (442)
1421373-66-1

>  <URL> (442)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/01192109392D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2817    7.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5166    8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1285    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4914    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    2.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  4  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
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (443)
4793

>  <Formula> (443)
C16H20N7O6PS

>  <MolWeight> (443)
469.412061

>  <Cat> (443)
S5754

>  <Name> (443)
Baricitinib phosphate

>  <Synonyms> (443)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (443)
JAK

>  <Form> (443)
phosphate

>  <CAS> (443)
1187595-84-1

>  <URL> (443)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/01192109392D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 11 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (444)
4810

>  <Formula> (444)
C17H13N3O2

>  <MolWeight> (444)
291.30402

>  <Cat> (444)
S5772

>  <Name> (444)
AS-8351

>  <Synonyms> (444)
N/A

>  <Target> (444)
Histone Demethylase

>  <Form> (444)
Free Base

>  <CAS> (444)
796-42-9

>  <URL> (444)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/01192109392D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (445)
4822

>  <Formula> (445)
C16H17BrN2S

>  <MolWeight> (445)
349.28858

>  <Cat> (445)
S5791

>  <Name> (445)
Cyclic Pifithrin-¦Á hydrobromide 

>  <Synonyms> (445)
N/A

>  <Target> (445)
p53

>  <Form> (445)
hydrobromide 

>  <CAS> (445)
511296-88-1

>  <URL> (445)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/01192109392D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (446)
4840

>  <Formula> (446)
C18H19F3N2O4S2

>  <MolWeight> (446)
448.4796696

>  <Cat> (446)
S5815

>  <Name> (446)
WAY-316606

>  <Synonyms> (446)
N/A

>  <Target> (446)
Wnt/beta-catenin

>  <Form> (446)
Free Base

>  <CAS> (446)
915759-45-4

>  <URL> (446)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/01192109392D

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M  END
>  <Mol_ID> (447)
4841

>  <Formula> (447)
C75H70N6O6

>  <MolWeight> (447)
1151.3949

>  <Cat> (447)
S5816

>  <Name> (447)
pyrvinium

>  <Synonyms> (447)
N/A

>  <Target> (447)
Anti-infection

>  <Form> (447)
Free Base

>  <CAS> (447)
3546-41-6

>  <URL> (447)
http://www.selleckchem.com/products/pyrvinium.html

$$$$

csChFnd80/01192109392D

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1883299-62-4

>  <URL> (454)
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1300031-49-5

>  <URL> (455)
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    4.8371   10.4741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536   10.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2359    6.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8870   11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6744   10.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8868   12.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743   14.6676    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
    9.6952    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (457)
5314

>  <Formula> (457)
C23H26N6O2

>  <MolWeight> (457)
418.49154

>  <Cat> (457)
S6414

>  <Name> (457)
Apilimod

>  <Synonyms> (457)
STA-5326

>  <Target> (457)
PI3K

>  <Form> (457)
Free Base

>  <CAS> (457)
541550-19-0

>  <URL> (457)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/01192109392D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    3.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    3.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7894    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 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 11  1  0  0  0  0
 14 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
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 19  2  0  0  0  0
 24 26  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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (458)
5375

>  <Formula> (458)
C23H18N6O2

>  <MolWeight> (458)
410.42802

>  <Cat> (458)
S7137

>  <Name> (458)
GLPG0634 analogue

>  <Synonyms> (458)
N/A

>  <Target> (458)
JAK

>  <Form> (458)
Free Base

>  <CAS> (458)
1206101-20-3

>  <URL> (458)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/01192109392D

 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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    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715   10.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673    7.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6367    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (459)
5379

>  <Formula> (459)
C19H18N4O3

>  <MolWeight> (459)
350.37122

>  <Cat> (459)
S8684

>  <Name> (459)
Selective JAK3 inhibitor 1

>  <Synonyms> (459)
N/A

>  <Target> (459)
JAK

>  <Form> (459)
Free Base

>  <CAS> (459)
1443235-95-7

>  <URL> (459)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/01192109392D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4578    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6836    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    5.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1025    6.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    8.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    7.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (460)
5380

>  <Formula> (460)
C23H20FN7O

>  <MolWeight> (460)
429.4496032

>  <Cat> (460)
S8693

>  <Name> (460)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (460)
N/A

>  <Target> (460)
PI3K

>  <Form> (460)
Free Base

>  <CAS> (460)
2088525-31-7

>  <URL> (460)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/01192109392D

 50 56  0  0  0  0  0  0  0  0999 V2000
   16.9606    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9606    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7482    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7482   10.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357   11.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3233   10.6564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3233    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1109   11.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1184173-73-6

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http://www.selleck.cn/products/mk-8353-sch900353.html

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N/A

>  <Target> (462)
JAK

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free base

>  <CAS> (462)
935666-88-9

>  <URL> (462)
http://www.selleck.cn/products/AZD1480.html

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333745-53-2

>  <URL> (464)
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   14.3290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  8  1  0  0  0  0
M  END
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6674

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C21H28N8O3S2

>  <MolWeight> (465)
504.62882

>  <Cat> (465)
S6516

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GNE-477

>  <Synonyms> (465)
N/A

>  <Target> (465)
PI3K

>  <Form> (465)
free base

>  <CAS> (465)
1032754-81-6

>  <URL> (465)
http://www.selleck.cn/products/gne-477.html

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csChFnd80/01192109392D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  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> (466)
6678

>  <Formula> (466)
C16H15N3O2

>  <MolWeight> (466)
281.3092

>  <Cat> (466)
S6521

>  <Name> (466)
WHI-P258

>  <Synonyms> (466)
N/A

>  <Target> (466)
JAK

>  <Form> (466)
free base

>  <CAS> (466)
21561-09-1

>  <URL> (466)
http://www.selleck.cn/products/whi-p258.html

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csChFnd80/01192109392D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    6.0801    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6552    8.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
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 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
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 17 18  2  0  0  0  0
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  1 20  1  0  0  0  0
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M  END
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6681

>  <Formula> (467)
C23H24N2O

>  <MolWeight> (467)
344.44946

>  <Cat> (467)
S6524

>  <Name> (467)
NSC 42834

>  <Synonyms> (467)
JAK2 Inhibitor V

>  <Target> (467)
JAK

>  <Form> (467)
free base

>  <CAS> (467)
195371-52-9

>  <URL> (467)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/01192109392D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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M  END
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6688

>  <Formula> (468)
C16H14N2O2S2

>  <MolWeight> (468)
330.42456

>  <Cat> (468)
S6536

>  <Name> (468)
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>  <Synonyms> (468)
N/A

>  <Target> (468)
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>  <Form> (468)
free base

>  <CAS> (468)
329907-28-0

>  <URL> (468)
http://www.selleck.cn/products/ttp-22.html

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csChFnd80/01192109392D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  5  7  1  0  0  0  0
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>  <Mol_ID> (469)
6691

>  <Formula> (469)
C20H14Cl2FN5O2S

>  <MolWeight> (469)
478.3268632

>  <Cat> (469)
S6541

>  <Name> (469)
MTX-211

>  <Synonyms> (469)
N/A

>  <Target> (469)
EGFR

>  <Form> (469)
free base

>  <CAS> (469)
1952236-05-3

>  <URL> (469)
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>  <URL> (471)
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1796596-46-7

>  <URL> (472)
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1513879-21-4

>  <URL> (473)
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C22H18ClN5O2

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S6574

>  <Name> (474)
KDU691

>  <Synonyms> (474)
N/A

>  <Target> (474)
PI4K

>  <Form> (474)
free base

>  <CAS> (474)
1513879-19-0

>  <URL> (474)
http://www.selleck.cn/products/kdu691.html

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csChFnd80/01192109392D

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6711

>  <Formula> (475)
C16H16F3N5

>  <MolWeight> (475)
335.3269496

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S6578

>  <Name> (475)
Longdaysin

>  <Synonyms> (475)
N/A

>  <Target> (475)
Casein Kinase

>  <Form> (475)
free base

>  <CAS> (475)
1353867-91-0

>  <URL> (475)
http://www.selleck.cn/products/longdaysin.html

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csChFnd80/01192109392D

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6728

>  <Formula> (476)
C21H17N3O2S

>  <MolWeight> (476)
375.44358

>  <Cat> (476)
S8704

>  <Name> (476)
iCRT14

>  <Synonyms> (476)
N/A

>  <Target> (476)
Wnt/beta-catenin

>  <Form> (476)
free base

>  <CAS> (476)
677331-12-3

>  <URL> (476)
http://www.selleck.cn/products/icrt14.html

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csChFnd80/01192109392D

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6743

>  <Formula> (477)
C22H25NO3

>  <MolWeight> (477)
351.4388

>  <Cat> (477)
S2933

>  <Name> (477)
AM580

>  <Synonyms> (477)
N/A

>  <Target> (477)
Retinoid Receptor

>  <Form> (477)
Free Base

>  <CAS> (477)
102121-60-8

>  <URL> (477)
http://www.selleck.cn/products/am580.html

$$$$

csChFnd80/01192109392D

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>  <Formula> (478)
C18H24N6O

>  <MolWeight> (478)
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>  <Cat> (478)
S6531

>  <Name> (478)
Bohemine

>  <Synonyms> (478)
N/A

>  <Target> (478)
CDK

>  <Form> (478)
Free Base

>  <CAS> (478)
189232-42-6

>  <URL> (478)
http://www.selleck.cn/products/bohemine.html

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1638250-96-0

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http://www.selleck.cn/products/etc-159.html

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CXCR

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897657-95-3

>  <URL> (481)
http://www.selleck.cn/products/msx-122.html

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N/A

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CXCR

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Free Base

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954126-98-8

>  <URL> (482)
http://www.selleck.cn/products/danirixin.html

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1800070-77-2

>  <URL> (489)
http://www.selleck.cn/products/borussertib.html

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1315355-93-1

>  <URL> (490)
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 10  5  1  0  0  0  0
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 14 18  1  0  0  0  0
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  1 20  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
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 30 31  1  0  0  0  0
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 33 34  1  0  0  0  0
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 37 32  1  0  0  0  0
 37 38  1  6  0  0  0
 36 39  1  6  0  0  0
 35 40  1  1  0  0  0
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 42 27  1  1  0  0  0
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M  END
>  <Mol_ID> (496)
6923

>  <Formula> (496)
C33H40O18

>  <MolWeight> (496)
724.6599

>  <Cat> (496)
S9096

>  <Name> (496)
ligustroflavone

>  <Synonyms> (496)
Nuezhenoside

>  <Target> (496)
AMPK

>  <Form> (496)
Free Base

>  <CAS> (496)
260413-62-5

>  <URL> (496)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/01192109392D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  7  9  2  0  0  0  0
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (497)
6935

>  <Formula> (497)
C17H15NO3

>  <MolWeight> (497)
281.3059

>  <Cat> (497)
S2272

>  <Name> (497)
Indoprofen

>  <Synonyms> (497)
N/A

>  <Target> (497)
PDK

>  <Form> (497)
Free Base

>  <CAS> (497)
31842-01-0

>  <URL> (497)
http://www.selleck.cn/products/indoprofen.html

$$$$

csChFnd80/01192109392D

 26 27  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
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  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (498)
6970

>  <Formula> (498)
C16H19Cl2N3O4S

>  <MolWeight> (498)
420.31076

>  <Cat> (498)
S8900

>  <Name> (498)
SR18662 

>  <Synonyms> (498)
N/A

>  <Target> (498)
KLF

>  <Form> (498)
Free Base

>  <CAS> (498)
no cas

>  <URL> (498)
http://www.selleckchem.com/products/sr18662.html

$$$$

csChFnd80/01192109392D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 12  1  0  0  0  0
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 10 26  2  0  0  0  0
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M  END
>  <Mol_ID> (499)
6971

>  <Formula> (499)
C16H14Cl2N8O

>  <MolWeight> (499)
405.24136

>  <Cat> (499)
S8903

>  <Name> (499)
AS2863619

>  <Synonyms> (499)
N/A

>  <Target> (499)
CDK

>  <Form> (499)
Free Base

>  <CAS> (499)
2241300-51-4

>  <URL> (499)
http://www.selleckchem.com/products/as2863619.html

$$$$

csChFnd80/01192109392D

 32 34  0  0  0  0  0  0  0  0999 V2000
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6976

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N/A

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CXCR

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Free Base

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1648843-04-2

>  <URL> (500)
http://www.selleckchem.com/products/sx-682.html

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csChFnd80/01192109392D

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6977

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C15H11ClF3NO

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N/A

>  <Target> (501)
Hippo pathway

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Free Base

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2378626-29-8

>  <URL> (501)
http://www.selleckchem.com/products/ted-347.html

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csChFnd80/01192109392D

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6979

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C26H23N5O2

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437.49312

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S8961

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Alobresib (GS-5829)

>  <Synonyms> (502)
N/A

>  <Target> (502)
Epigenetic Reader Do

>  <Form> (502)
Free Base

>  <CAS> (502)
1637771-14-2

>  <URL> (502)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/01192109392D

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>  <Formula> (503)
C20H13FN4O2

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N/A

>  <Target> (503)
p38 MAPK

>  <Form> (503)
Free Base

>  <CAS> (503)
152121-53-4

>  <URL> (503)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/01192109392D

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7004

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STAT

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285986-31-4

>  <URL> (504)
http://www.selleckchem.com/products/stat-in-1.html

$$$$

csChFnd80/01192109392D

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M  END
>  <Mol_ID> (505)
7006

>  <Formula> (505)
C17H11BrFN3O2

>  <MolWeight> (505)
388.1905432

>  <Cat> (505)
S6786

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ERK5-IN-2

>  <Synonyms> (505)
N/A

>  <Target> (505)
ERK

>  <Form> (505)
Free Base

>  <CAS> (505)
1888305-96-1

>  <URL> (505)
http://www.selleckchem.com/products/erk5-in-2.html

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csChFnd80/01192109392D

 25 28  0  0  0  0  0  0  0  0999 V2000
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7017

>  <Formula> (506)
C20H13F2N3

>  <MolWeight> (506)
333.3341264

>  <Cat> (506)
S6807

>  <Name> (506)
TA-02

>  <Synonyms> (506)
N/A

>  <Target> (506)
p38 MAPK

>  <Form> (506)
Free Base

>  <CAS> (506)
1784751-19-4

>  <URL> (506)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/01192109392D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (507)
7059

>  <Formula> (507)
C26H34N6O3S

>  <MolWeight> (507)
510.65156

>  <Cat> (507)
S0391

>  <Name> (507)
TG-89

>  <Synonyms> (507)
N/A

>  <Target> (507)
JAK

>  <Form> (507)
Free Base

>  <CAS> (507)
936091-56-4

>  <URL> (507)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/01192109392D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (508)
7069

>  <Formula> (508)
C14H10BrNOS

>  <MolWeight> (508)
320.2043

>  <Cat> (508)
S0523

>  <Name> (508)
SB?4

>  <Synonyms> (508)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (508)
TGF-beta/Smad

>  <Form> (508)
Free Base

>  <CAS> (508)
100874-08-6

>  <URL> (508)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/01192109392D

 12 11  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (509)
7076

>  <Formula> (509)
C6H12N2S4

>  <MolWeight> (509)
240.43288

>  <Cat> (509)
S2431

>  <Name> (509)
Tetramethylthiuram disulfide

>  <Synonyms> (509)
Tetramethyl thiuram disulfide, Bis (dimethyldithiocarbamoyl) disulfide, Thiram, Thiuram

>  <Target> (509)
HIF

>  <Form> (509)
Free Base

>  <CAS> (509)
137-26-8

>  <URL> (509)
http://www.selleckchem.com/products/tetramethylthiuram-disulfide.html

$$$$

csChFnd80/01192109392D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (510)
7101

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C25H19N5S

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>  <Synonyms> (510)
N/A

>  <Target> (510)
ALK

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Free Base

>  <CAS> (510)
909910-43-6

>  <URL> (510)
http://www.selleckchem.com/products/a-83-01.html

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csChFnd80/01192109392D

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>  <Mol_ID> (511)
7143

>  <Formula> (511)
C13H11NO5S2

>  <MolWeight> (511)
325.36014

>  <Cat> (511)
S0225

>  <Name> (511)
IMR-1A

>  <Target> (511)
Notch

>  <Form> (511)
free base

>  <CAS> (511)
331862-41-0

>  <URL> (511)
http://www.selleckchem.com/products/imr-1a.html

$$$$

csChFnd80/01192109392D

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>  <Mol_ID> (512)
7145

>  <Formula> (512)
C21H19N3O3

>  <MolWeight> (512)
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>  <Cat> (512)
S0268

>  <Name> (512)
DMX-5084

>  <Target> (512)
MAP4K

>  <Form> (512)
free base

>  <CAS> (512)
2306178-56-1

>  <URL> (512)
http://www.selleckchem.com/products/dmx-5084.html

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csChFnd80/01192109392D

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7165

>  <Formula> (513)
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>  <MolWeight> (513)
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phosphatase

>  <Form> (513)
free base

>  <CAS> (513)
1400989-25-4

>  <URL> (513)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/01192109392D

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292168-79-7

>  <URL> (514)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/01192109392D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    3.7324    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 24  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
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 11 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  2  0  0  0  0
 15 20  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (515)
7174

>  <Formula> (515)
C19H11ClN3NaO2

>  <MolWeight> (515)
371.75231

>  <Cat> (515)
S0707

>  <Name> (515)
Silmitasertib sodium salt

>  <Target> (515)
Casein Kinase

>  <Form> (515)
sodium

>  <CAS> (515)
1309357-15-0

>  <URL> (515)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/01192109392D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7024    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5122    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1465    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5714    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7838    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2087    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  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
  3  7  1  0  0  0  0
  7  8  1  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
 10  1  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (516)
7179

>  <Formula> (516)
C23H40N2O3

>  <MolWeight> (516)
392.5753

>  <Cat> (516)
S0752

>  <Name> (516)
AUDA

>  <Target> (516)
Epoxide Hydrolase

>  <Form> (516)
free base

>  <CAS> (516)
479413-70-2

>  <URL> (516)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/01192109392D

 35 37  0  0  0  0  0  0  0  0999 V2000
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    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
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    1.2124    6.3000    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  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
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (517)
7185

>  <Formula> (517)
C28H29NO6

>  <MolWeight> (517)
475.53296

>  <Cat> (517)
S0818

>  <Name> (517)
STAT3-IN-1

>  <Target> (517)
STAT

>  <Form> (517)
free base

>  <CAS> (517)
2059952-75-7

>  <URL> (517)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/01192109392D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.6430    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8199    4.8523    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  1  0  0  0  0
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 10  5  1  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 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
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 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (518)
7191

>  <Formula> (518)
C30H48O7

>  <MolWeight> (518)
520.69792

>  <Cat> (518)
S0949

>  <Name> (518)
Cucurbitacin IIb

>  <Target> (518)
STAT

>  <Form> (518)
free base

>  <CAS> (518)
50298-90-3

>  <URL> (518)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/01192109392D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5879    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
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (519)
7209

>  <Formula> (519)
C7H7NO2

>  <MolWeight> (519)
137.13598

>  <Cat> (519)
S3220

>  <Name> (519)
Trigonelline

>  <Target> (519)
Phospholipase (e.g. 

>  <Form> (519)
free base

>  <CAS> (519)
535-83-1

>  <URL> (519)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/01192109392D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (520)
7211

>  <Formula> (520)
C7H14O6

>  <MolWeight> (520)
194.18246

>  <Cat> (520)
S3223

>  <Name> (520)
L-Quebrachitol

>  <Target> (520)
TGF-beta/Smad

>  <Form> (520)
free base

>  <CAS> (520)
642-38-6

>  <URL> (520)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/01192109392D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2310    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9874    6.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    5.1422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4759    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5563    3.7817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    7.2422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5078    4.9083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9405    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7996    7.9908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    7.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    5.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    7.2713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6884    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    5.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    9.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    5.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    8.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   10.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    9.5396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3125    6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9405    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6175    5.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  9  1  1  1  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
 26  3  1  1  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (521)
7212

>  <Formula> (521)
C26H34O6

>  <MolWeight> (521)
442.54456

>  <Cat> (521)
S3224

>  <Name> (521)
Cinobufagin

>  <Target> (521)
ATM/ATR

>  <Form> (521)
free base

>  <CAS> (521)
470-37-1

>  <URL> (521)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/01192109392D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (522)
7220

>  <Formula> (522)
C24H32O4

>  <MolWeight> (522)
384.50848

>  <Cat> (522)
S3238

>  <Name> (522)
Resibufogenin

>  <Target> (522)
RIP kinase

>  <Form> (522)
free base

>  <CAS> (522)
465-39-4

>  <URL> (522)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/01192109392D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.4907    9.9985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0907    9.9985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2725    7.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    6.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    5.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    8.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    2.1338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3695    6.3967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3110    3.5629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3110    2.1047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8309    3.5338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5793    4.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793    1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    1.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    4.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    5.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2556    2.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2556    3.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    6.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    5.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5295    4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3583    7.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    7.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0843    8.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2780    6.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5409    5.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208    8.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822    8.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9656    5.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    9.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 28  1  0  0  0  0
  3 34  1  0  0  0  0
  4 29  1  0  0  0  0
  4 35  1  0  0  0  0
  5 32  1  0  0  0  0
  5 36  1  0  0  0  0
  6 33  1  0  0  0  0
  6 37  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 13  1  0  0  0  0
 10 16  1  6  0  0  0
 11 12  1  1  0  0  0
 11 17  1  0  0  0  0
 18 14  1  6  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 21 30  2  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 28 29  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (523)
7221

>  <Formula> (523)
C29H42Cl2N2O4

>  <MolWeight> (523)
553.56078

>  <Cat> (523)
S3239

>  <Name> (523)
Emetine Dihydrochloride

>  <Target> (523)
HIF

>  <Form> (523)
Dihydrochloride

>  <CAS> (523)
316-42-7

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

$$$$

csChFnd80/01192109392D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    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
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    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
  6  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
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 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 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (524)
7223

>  <Formula> (524)
C17H18O4

>  <MolWeight> (524)
286.32242

>  <Cat> (524)
S3241

>  <Name> (524)
Loureirin A

>  <Target> (524)
Akt

>  <Form> (524)
free base

>  <CAS> (524)
119425-89-7

>  <URL> (524)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/01192109392D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (525)
7224

>  <Formula> (525)
C18H20O5

>  <MolWeight> (525)
316.3484

>  <Cat> (525)
S3242

>  <Name> (525)
Loureirin B

>  <Target> (525)
PAI-1

>  <Form> (525)
free base

>  <CAS> (525)
119425-90-0

>  <URL> (525)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/01192109392D

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    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
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 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 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
  7 32  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
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (526)
7245

>  <Formula> (526)
C27H30O15

>  <MolWeight> (526)
594.5181

>  <Cat> (526)
S3267

>  <Name> (526)
Kaempferol-3-O-rutinoside

>  <Target> (526)
Apoptosis related

>  <Form> (526)
free base

>  <CAS> (526)
17650-84-9

>  <URL> (526)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/01192109392D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5  2  1  6  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
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  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  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
M  END
>  <Mol_ID> (527)
7252

>  <Formula> (527)
C12H16O4

>  <MolWeight> (527)
224.25304

>  <Cat> (527)
S3275

>  <Name> (527)
Senkyunolide I

>  <Target> (527)
ERK

>  <Form> (527)
free base

>  <CAS> (527)
94596-28-8

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

$$$$

csChFnd80/01192109392D

 39 42  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  5  9  1  1  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 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 23 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
  3 36  1  1  0  0  0
  2 37  1  6  0  0  0
  4 38  1  6  0  0  0
 19 39  1  6  0  0  0
M  END
>  <Mol_ID> (528)
7260

>  <Formula> (528)
C27H34O12

>  <MolWeight> (528)
550.55166

>  <Cat> (528)
S3284

>  <Name> (528)
Tracheloside

>  <Target> (528)
phosphatase

>  <Form> (528)
free base

>  <CAS> (528)
33464-71-0

>  <URL> (528)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/01192109392D

 19 18  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  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
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (529)
7266

>  <Formula> (529)
C17H24O2

>  <MolWeight> (529)
260.37126

>  <Cat> (529)
S3292

>  <Name> (529)
Falcarindiol

>  <Target> (529)
NOS

>  <Form> (529)
free base

>  <CAS> (529)
225110-25-8

>  <URL> (529)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/01192109392D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0024    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  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
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (530)
7268

>  <Formula> (530)
C16H17NO3

>  <MolWeight> (530)
271.31108

>  <Cat> (530)
S3294

>  <Name> (530)
Demethyl-Coclaurine

>  <Target> (530)
Adrenergic Receptor

>  <Form> (530)
free base

>  <CAS> (530)
5843-65-2

>  <URL> (530)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/01192109392D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (531)
7270

>  <Formula> (531)
C16H12O6

>  <MolWeight> (531)
300.26288

>  <Cat> (531)
S3296

>  <Name> (531)
Hispidulin

>  <Target> (531)
Pim

>  <Form> (531)
free base

>  <CAS> (531)
1447-88-7

>  <URL> (531)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/01192109392D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    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
    4.8497    7.7000    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
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   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    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
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
  7 13  1  0  0  0  0
  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (532)
7290

>  <Formula> (532)
C27H33ClN2O4

>  <MolWeight> (532)
485.01492

>  <Cat> (532)
S6760

>  <Name> (532)
LM22B-10

>  <Target> (532)
Trk receptor

>  <Form> (532)
free base

>  <CAS> (532)
342777-54-2

>  <URL> (532)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01192109392D

 27 31  0  0  0  0  0  0  0  0999 V2000
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   11.1859    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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339163-65-4

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 29 30  0  0  0  0  0  0  0  0999 V2000
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88191-84-8

>  <URL> (535)
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csChFnd80/01192109392D

 30 35  0  0  0  0  0  0  0  0999 V2000
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>  <URL> (536)
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M  END
>  <Mol_ID> (537)
7373

>  <Formula> (537)
C97H144FN33O19S2

>  <MolWeight> (537)
2159.5193632

>  <Cat> (537)
S9665

>  <Name> (537)
Motixafortide (BL-8040)

>  <Target> (537)
CXCR

>  <Form> (537)
free base

>  <CAS> (537)
664334-36-5

>  <URL> (537)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/01192109392D

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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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  8 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 19  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
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  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
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 29 19  1  0  0  0  0
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  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (538)
7377

>  <Formula> (538)
C28H26N4O3

>  <MolWeight> (538)
466.53104

>  <Cat> (538)
S1421

>  <Name> (538)
Staurosporine

>  <Synonyms> (538)
CGP 41251

>  <Target> (538)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (538)
Free Base

>  <CAS> (538)
62996-74-1

>  <URL> (538)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/01192109392D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
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 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
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 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (539)
7403

>  <Formula> (539)
C21H18N2O

>  <MolWeight> (539)
314.38042

>  <Cat> (539)
S0765

>  <Name> (539)
MAZ51

>  <Synonyms> (539)
N/A

>  <Target> (539)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (539)
Free Base

>  <CAS> (539)
163655-37-6

>  <URL> (539)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/01192109392D

 58 63  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (540)
7427

>  <Formula> (540)
C42H70O12

>  <MolWeight> (540)
766.998

>  <Cat> (540)
S9210

>  <Name> (540)
Ginsenoside Rk1

>  <Synonyms> (540)
N/A

>  <Target> (540)
others

>  <Form> (540)
Free Base

>  <CAS> (540)
494753-69-4

>  <URL> (540)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/01192109392D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 19  4  1  0  0  0  0
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M  END
>  <Mol_ID> (541)
7445

>  <Formula> (541)
C22H26N2O4

>  <MolWeight> (541)
382.45284

>  <Cat> (541)
S9306

>  <Name> (541)
Corynoxeine

>  <Synonyms> (541)
N/A

>  <Target> (541)
ERK

>  <Form> (541)
Free Base

>  <CAS> (541)
630-94-4

>  <URL> (541)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/01192109392D

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    8.4870    4.2000    0.0000 O   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
   12.1243    2.1000    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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  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
   15.8071    3.2196    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
  7  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
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (542)
7480

>  <Formula> (542)
C16H15FN2O4

>  <MolWeight> (542)
318.2997032

>  <Cat> (542)
S0153

>  <Name> (542)
SJ000291942

>  <Synonyms> (542)
N/A

>  <Target> (542)
TGF-beta/Smad

>  <Form> (542)
Free Base

>  <CAS> (542)
425613-09-8

>  <URL> (542)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/01192109392D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0918    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    5.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    4.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    1.2052    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6293    3.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2802    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1268    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6584    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912    6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (543)
7503

>  <Formula> (543)
C16H11N3O3

>  <MolWeight> (543)
293.27684

>  <Cat> (543)
S0354

>  <Name> (543)
Alsterpaullone

>  <Synonyms> (543)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (543)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (543)
Free Base

>  <CAS> (543)
237430-03-4

>  <URL> (543)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/01192109392D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  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
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9001    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
   14.5493    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  2  0  0  0  0
  6 19  1  0  0  0  0
  7 14  2  0  0  0  0
  7 24  1  0  0  0  0
  8 18  1  0  0  0  0
  8 24  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 26  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (544)
7507

>  <Formula> (544)
C17H14Cl2N6O

>  <MolWeight> (544)
389.23866

>  <Cat> (544)
S0384

>  <Name> (544)
RO495

>  <Synonyms> (544)
CS-2667

>  <Target> (544)
JAK

>  <Form> (544)
Free Base

>  <CAS> (544)
1258296-60-4

>  <URL> (544)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/01192109392D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.0545    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    1.5067    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    8.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.9923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    5.1189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    7.8651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    9.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1846    7.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    1.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (545)
7513

>  <Formula> (545)
C15H12Cl2N4O

>  <MolWeight> (545)
335.18798

>  <Cat> (545)
S0454

>  <Name> (545)
Adjudin

>  <Synonyms> (545)
AF-2364

>  <Target> (545)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (545)
Free Base

>  <CAS> (545)
252025-52-8

>  <URL> (545)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/01192109392D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2195    0.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    1.5205    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1324    4.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    5.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525    2.3422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7401    3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5048    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    5.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1626    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2094    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5617    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1893    3.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (546)
7541

>  <Formula> (546)
C18H13F2NO3

>  <MolWeight> (546)
329.2975264

>  <Cat> (546)
S0881

>  <Name> (546)
Mitochonic acid 5

>  <Synonyms> (546)
MA-5

>  <Target> (546)
Mitophagy. MAPK. ERK. Yap

>  <Form> (546)
Free Base

>  <CAS> (546)
1354707-41-7

>  <URL> (546)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/01192109392D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    4.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    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
  2  6  1  1  0  0  0
  3  7  2  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  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (547)
7554

>  <Formula> (547)
C29H30O13

>  <MolWeight> (547)
586.5407

>  <Cat> (547)
S1273

>  <Name> (547)
Amarogentin

>  <Synonyms> (547)
AG

>  <Target> (547)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (547)
Free Base

>  <CAS> (547)
21018-84-8

>  <URL> (547)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01192109392D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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    4.2000    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    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
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (548)
7556

>  <Formula> (548)
C13H8O3

>  <MolWeight> (548)
212.20082

>  <Cat> (548)
S1321

>  <Name> (548)
Urolithin B

>  <Synonyms> (548)
N/A

>  <Target> (548)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (548)
Free Base

>  <CAS> (548)
1139-83-9

>  <URL> (548)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/01192109392D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.3755    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0342    1.0812    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9530    2.7398    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3240   10.8893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    6.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    4.9821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1845    7.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1845    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    6.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    2.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4895    3.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9894    0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2942    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8594    2.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3593    0.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9894    9.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3216    9.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6643    1.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1684   10.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4529    8.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9933   11.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  1  0  0  0  0
  4 29  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  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 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (549)
7565

>  <Formula> (549)
C21H16F3N3O2

>  <MolWeight> (549)
399.3658496

>  <Cat> (549)
S2962

>  <Name> (549)
NP-G2-044

>  <Synonyms> (549)
N/A

>  <Target> (549)
Fascin

>  <Form> (549)
Free Base

>  <CAS> (549)
1807454-59-6

>  <URL> (549)
https://www.selleckchem.com/products/np-g2-044.html

$$$$

csChFnd80/01192109392D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (550)
7566

>  <Formula> (550)
C13H17Cl2N3O2S

>  <MolWeight> (550)
350.26398

>  <Cat> (550)
S2964

>  <Name> (550)
HA-100 dihydrochloride

>  <Synonyms> (550)
N/A

>  <Target> (550)
PKG, PKA, PKC, MLCK

>  <Form> (550)
Dihydrochlori

>  <CAS> (550)
210297-47-5

>  <URL> (550)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/01192109392D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (551)
7619

>  <Formula> (551)
C3H4O3

>  <MolWeight> (551)
88.06206

>  <Cat> (551)
S3143

>  <Name> (551)
Pyruvic acid

>  <Synonyms> (551)
Acetylformic acid

>  <Target> (551)
LDH. Casein Kinase. ATPase.

>  <Form> (551)
Free Base

>  <CAS> (551)
127-17-3

>  <URL> (551)
https://www.selleckchem.com/products/pyruvic-acid.html

$$$$

csChFnd80/01192109392D

 11 11  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    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  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
    4.8413    4.1927    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
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (552)
7673

>  <Formula> (552)
C7H7NO3

>  <MolWeight> (552)
153.13538

>  <Cat> (552)
S3355

>  <Name> (552)
3-Hydroxyanthranilic acid

>  <Synonyms> (552)
3-HAA, 3-HANA

>  <Target> (552)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (552)
Free Base

>  <CAS> (552)
548-93-6

>  <URL> (552)
https://www.selleckchem.com/products/3-hydroxyanthranilic-acid.html

$$$$

csChFnd80/01192109392D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1668    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2290    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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
  8  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  5 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  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
 20 26  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (553)
7691

>  <Formula> (553)
C17H20N6O2S

>  <MolWeight> (553)
372.4447

>  <Cat> (553)
S6517

>  <Name> (553)
GNE-493

>  <Synonyms> (553)
N/A

>  <Target> (553)
PI3K. mTOR.

>  <Form> (553)
Free Base

>  <CAS> (553)
1033735-94-2

>  <URL> (553)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/01192109392D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    7.2746    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 11 14  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (554)
7695

>  <Formula> (554)
C15H15NO4S

>  <MolWeight> (554)
305.3489

>  <Cat> (554)
S6901

>  <Name> (554)
MSAB

>  <Synonyms> (554)
N/A

>  <Target> (554)
Wnt/beta-catenin

>  <Form> (554)
Free Base

>  <CAS> (554)
173436-66-3

>  <URL> (554)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/01192109392D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  6  7  1  0  0  0  0
  3  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 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
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (555)
7699

>  <Formula> (555)
C21H19F2NO3

>  <MolWeight> (555)
371.3772664

>  <Cat> (555)
S6920

>  <Name> (555)
SEA0400

>  <Synonyms> (555)
N/A

>  <Target> (555)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (555)
Free Base

>  <CAS> (555)
223104-29-8

>  <URL> (555)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/01192109392D

 28 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0736    8.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  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 10  1  0  0  0  0
 16 18  1  0  0  0  0
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 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 20  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (556)
7713

>  <Formula> (556)
C22H14FN5

>  <MolWeight> (556)
367.3784632

>  <Cat> (556)
S6963

>  <Name> (556)
APTO-253

>  <Synonyms> (556)
LOR-253, LT-253

>  <Target> (556)
c-Myc. KLF. Apoptosis related

>  <Form> (556)
Free Base

>  <CAS> (556)
916151-99-0

>  <URL> (556)
https://www.selleckchem.com/products/apto-253.html

$$$$

csChFnd80/01192109392D

186188  0  0  0  0  0  0  0  0999 V2000
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133138  1  0  0  0  0
133139  1  0  0  0  0
137142  1  0  0  0  0
140148  1  0  0  0  0
141144  1  0  0  0  0
141153  1  0  0  0  0
142170  1  0  0  0  0
143146  1  0  0  0  0
143158  1  0  0  0  0
144149  1  0  0  0  0
145161  1  0  0  0  0
145162  1  0  0  0  0
146151  1  0  0  0  0
147150  1  0  0  0  0
147159  1  0  0  0  0
148169  1  0  0  0  0
149167  1  0  0  0  0
149168  1  0  0  0  0
150156  1  0  0  0  0
151171  1  0  0  0  0
151172  1  0  0  0  0
152154  1  0  0  0  0
152166  1  0  0  0  0
154160  1  0  0  0  0
155165  1  0  0  0  0
156174  1  0  0  0  0
156175  1  0  0  0  0
157163  1  0  0  0  0
157164  1  0  0  0  0
160177  1  0  0  0  0
160178  1  0  0  0  0
163176  1  0  0  0  0
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181184  1  0  0  0  0
184185  1  0  0  0  0
M  END
>  <Mol_ID> (557)
7728

>  <Formula> (557)
C119H206N32O35

>  <MolWeight> (557)
2645.10234

>  <Cat> (557)
S9664

>  <Name> (557)
Colivelin

>  <Synonyms> (557)
CLN

>  <Target> (557)
STAT. Beta Amyloid.

>  <Form> (557)
Free Base

>  <CAS> (557)
867021-83-8

>  <URL> (557)
https://www.selleckchem.com/products/colivelin.html

$$$$

csChFnd80/01192109392D

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    7.2746    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.6925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    5.5925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.9925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7617    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  6  0  0  0
  7 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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 31 32  2  0  0  0  0
 32 23  1  0  0  0  0
 18 33  2  0  0  0  0
 33 34  1  0  0  0  0
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 36 37  2  0  0  0  0
 37 18  1  0  0  0  0
 38 39  1  0  0  0  0
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M  END
>  <Mol_ID> (558)
7738

>  <Formula> (558)
C29H36F3N3O8S

>  <MolWeight> (558)
643.6716496

>  <Cat> (558)
S9698

>  <Name> (558)
Ezatiostat

>  <Synonyms> (558)
TER199, TLK199, Telintra

>  <Target> (558)
Transferase. JNK. ERK. Apoptosis related

>  <Form> (558)
Free Base

>  <CAS> (558)
168682-53-9

>  <URL> (558)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

csChFnd80/01192109392D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.6350    4.2508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4645    4.9265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6350    2.8279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0602    4.2513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
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M  END
>  <Mol_ID> (559)
7743

>  <Formula> (559)
C19H32N4O11

>  <MolWeight> (559)
492.47758

>  <Cat> (559)
S9709

>  <Name> (559)
Muramyl dipeptide

>  <Synonyms> (559)
MDP

>  <Target> (559)
RUNX

>  <Form> (559)
Free Base

>  <CAS> (559)
53678-77-6

>  <URL> (559)
https://www.selleckchem.com/products/muramyl-dipeptide.html

$$$$

csChFnd80/01192109392D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 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  9  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (560)
7747

>  <Formula> (560)
C15H18N2O

>  <MolWeight> (560)
242.31622

>  <Cat> (560)
S9719

>  <Name> (560)
CB-103

>  <Synonyms> (560)
N/A

>  <Target> (560)
Notch

>  <Form> (560)
Free Base

>  <CAS> (560)
218457-67-1

>  <URL> (560)
https://www.selleckchem.com/products/cb-103.html

$$$$

csChFnd80/01192109392D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
  7 23  2  0  0  0  0
 14 24  2  0  0  0  0
 13 25  3  0  0  0  0
M  END
>  <Mol_ID> (561)
7750

>  <Formula> (561)
C17H8Cl3N3O2

>  <MolWeight> (561)
392.62332

>  <Cat> (561)
S9743

>  <Name> (561)
Ciliobrevin D

>  <Synonyms> (561)
N/A

>  <Target> (561)
Hedgehog/Smoothened. ATPase

>  <Form> (561)
Free Base

>  <CAS> (561)
1370554-01-0

>  <URL> (561)
https://www.selleckchem.com/products/ciliobrevin-d.html

$$$$
