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Proteasome

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179324-69-7

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

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>  <Mol_ID> (2)
16

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Imatinib Mesylate (STI571)

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CGP-57148B, ST-1571 Mesylate

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PDGFR, c-Kit, Bcr-Abl

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Mesylate

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220127-57-1

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

$$$$
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N/A

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MEK 

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Free Base

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

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

$$$$
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DNA-PK, PI3K, mTOR

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371935-74-9

>  <URL> (4)
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>  <Mol_ID> (5)
27

>  <Formula> (5)
C51H79NO13

>  <MolWeight> (5)
914.17186

>  <Cat> (5)
S1039

>  <Name> (5)
Rapamycin (Sirolimus)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
mTOR 

>  <Form> (5)
Free Base

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

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

$$$$
vorinostat.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (6)
31

>  <Formula> (6)
C14H20N2O3

>  <MolWeight> (6)
264.3202

>  <Cat> (6)
S1047

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

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

>  <Target> (6)
HDAC

>  <Form> (6)
Free Base

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

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

$$$$
Y-27632 2HCL.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (7)
33

>  <Formula> (7)
C14H23Cl2N3O

>  <MolWeight> (7)
320.25792

>  <Cat> (7)
S1049

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

>  <Synonyms> (7)
N/A

>  <Target> (7)
ROCK

>  <Form> (7)
Dihydrochloride

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

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

$$$$
untitled.cdx
csChFnd80/01192109402D

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PKC 

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Free Base

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170364-57-5

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

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>  <Mol_ID> (9)
41

>  <Formula> (9)
C23H27N7O3S2

>  <MolWeight> (9)
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RG7321

>  <Target> (9)
PI3K 

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Free Base

>  <CAS> (9)
957054-30-7

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

$$$$
untitled.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (10)
42

>  <Formula> (10)
C22H16N4O3

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

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Free Base

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301836-41-9

>  <URL> (10)
http://www.selleckchem.com/products/SB-431542.html

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>  <Mol_ID> (11)
44

>  <Formula> (11)
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>  <Target> (11)
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>  <Form> (11)
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>  <CAS> (11)
475110-96-4

>  <URL> (11)
http://www.selleckchem.com/products/ZSTK474.html

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280744-09-4

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p38 MAPK 

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152121-47-6

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>  <Target> (14)
p38 MAPK 

>  <Form> (14)
Free Base

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

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

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Hedgehog, P-gp

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879085-55-9

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PI3K 

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154447-36-6

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AT9283

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N/A

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Bcr-Abl, JAK, Aurora Kinase

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Free Base

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

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

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>  <Mol_ID> (18)
84

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C31H43N3O8

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17-AAG (Tanespimycin)

>  <Synonyms> (18)
N/A 

>  <Target> (18)
HSP

>  <Form> (18)
Free Base

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

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

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95

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C16H15NO7S

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NSC 74859 (S3I-201)

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N/A 

>  <Target> (19)
STAT

>  <Form> (19)
Free Base

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

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

$$$$
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PI3K

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663619-89-4

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

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

$$$$
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Wnt/beta-catenin

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Free Base

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284028-89-3

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http://www.selleckchem.com/products/XAV-939.html

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csChFnd80/01192109402D

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Ku-0063794

>  <Synonyms> (23)
N/A

>  <Target> (23)
mTOR 

>  <Form> (23)
Free Base

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

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

$$$$
Evista (Raloxifene Hydrochloride).cdx
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137

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C28H28ClNO4S

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

>  <Synonyms> (24)
Raloxifene Hydrochloride, keoxifene

>  <Target> (24)
Estrogen/progestogen Receptor

>  <Form> (24)
Hydrochloride

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

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

$$$$
BMS-708163.cdx
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156

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BMS-708163 (Avagacestat)

>  <Synonyms> (25)
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>  <Target> (25)
Gamma-secretase

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Free Base

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

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

$$$$
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csChFnd80/01192109402D

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M  END
>  <Mol_ID> (26)
157

>  <Formula> (26)
C28H41N7O3

>  <MolWeight> (26)
523.67024

>  <Cat> (26)
S1264

>  <Name> (26)
PD173074

>  <Synonyms> (26)
N/A

>  <Target> (26)
FGFR, VEGFR

>  <Form> (26)
Free Base

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

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

$$$$
Nicotinamide.cdx
csChFnd80/01192109402D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (27)
188

>  <Formula> (27)
C6H6N2O

>  <MolWeight> (27)
122.12464

>  <Cat> (27)
S1899

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

>  <Synonyms> (27)
Niacinamide

>  <Target> (27)
Sirtuin

>  <Form> (27)
Free Base

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

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

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (28)
221

>  <Formula> (28)
C17H19ClF3NO

>  <MolWeight> (28)
345.7870696

>  <Cat> (28)
S1333

>  <Name> (28)
Fluoxetine  HCl

>  <Synonyms> (28)
Prozac, Sarafem

>  <Target> (28)
5-HT Receptor

>  <Form> (28)
Hydrochloride

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

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

$$$$
Gatifloxacin.cdx
csChFnd80/01192109402D

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 10  5  1  0  0  0  0
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 12  2  1  0  0  0  0
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M  END
>  <Mol_ID> (29)
223

>  <Formula> (29)
C19H22FN3O4

>  <MolWeight> (29)
375.3940832

>  <Cat> (29)
S1340

>  <Name> (29)
Gatifloxacin

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

>  <Target> (29)
Topoisomerase

>  <Form> (29)
Free Base

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

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

$$$$
TG100-115.cdx
csChFnd80/01192109402D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (30)
227

>  <Formula> (30)
C18H14N6O2

>  <MolWeight> (30)
346.34276

>  <Cat> (30)
S1352

>  <Name> (30)
TG100-115

>  <Synonyms> (30)
N/A

>  <Target> (30)
PI3K

>  <Form> (30)
Free Base

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

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

$$$$
ON-01910.cdx
csChFnd80/01192109402D

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Sodium Salt

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1225497-78-8

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61413-54-5

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$$$$
Thiazovivin.cdx
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ROCK

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1226056-71-8

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

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

$$$$
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32222-06-3

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GSK429286A

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ROCK 

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Free Base

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864082-47-3

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

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SB 525334

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N/A

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TGF-beta/Smad

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Free Base

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356559-20-1

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

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PIK-93

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N/A

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PI3K, VEGFR

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Free Base

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593960-11-3

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

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C10H12FN5O4

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STAT, DNA/RNA Synthesis

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21679-14-1

>  <URL> (40)
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csChFnd80/01192109402D

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1349796-36-6

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CDK 

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Free Base

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844442-38-2

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

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1094614-85-3

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>  <Form> (44)
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857531-00-1

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http://www.selleckchem.com/products/AT7867.html

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M  END
>  <Mol_ID> (45)
352

>  <Formula> (45)
C14H18ClN3O2S

>  <MolWeight> (45)
327.82962

>  <Cat> (45)
S1573

>  <Name> (45)
Fasudil HCl (HA-1077)

>  <Synonyms> (45)
AT-877 

>  <Target> (45)
ROCK

>  <Form> (45)
Hydrochloride

>  <CAS> (45)
105628-07-7

>  <URL> (45)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (46)
353

>  <Formula> (46)
C31H37N5O3

>  <MolWeight> (46)
527.65718

>  <Cat> (46)
S1574

>  <Name> (46)
BIRB 796 (Doramapimod)

>  <Synonyms> (46)
N/A

>  <Target> (46)
p38 MAPK

>  <Form> (46)
Free Base

>  <CAS> (46)
285983-48-4

>  <URL> (46)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Semagacestat.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (47)
358

>  <Formula> (47)
C19H27N3O4

>  <MolWeight> (47)
361.43538

>  <Cat> (47)
S1594

>  <Name> (47)
Semagacestat (LY450139)

>  <Synonyms> (47)
LY-450139, LY450139

>  <Target> (47)
Gamma-secretase

>  <Form> (47)
Free Base

>  <CAS> (47)
425386-60-3

>  <URL> (47)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (48)
360

>  <Formula> (48)
C27H30Cl2F2N6O

>  <MolWeight> (48)
563.4695064

>  <Cat> (48)
S2686

>  <Name> (48)
NVP-BSK805 2HCl

>  <Synonyms> (48)
N/A

>  <Target> (48)
JAK

>  <Form> (48)
HCl

>  <CAS> (48)
1092499-93-8 (free base)

>  <URL> (48)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/01192109402D

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    7.2620    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6288    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  7  8  1  0  0  0  0
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 10  5  2  0  0  0  0
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 17 12  1  0  0  0  0
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 17 21  1  1  0  0  0
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M  END
>  <Mol_ID> (49)
368

>  <Formula> (49)
C29H35NO2

>  <MolWeight> (49)
429.5937

>  <Cat> (49)
S2606

>  <Name> (49)
Mifepristone (Mifeprex)

>  <Synonyms> (49)
RU-486, Mifegyne 

>  <Target> (49)
Estrogen/progestogen Receptor

>  <Form> (49)
Free Base

>  <CAS> (49)
84371-65-3

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

$$$$
Artesunate.cdx
csChFnd80/01192109402D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
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  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (50)
391

>  <Formula> (50)
C19H28O8

>  <MolWeight> (50)
384.42082

>  <Cat> (50)
S2265

>  <Name> (50)
Artesunate

>  <Synonyms> (50)
N/A

>  <Target> (50)
STAT

>  <Form> (50)
Free Base

>  <CAS> (50)
88495-63-0

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

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/01192109402D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3452    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (51)
396

>  <Formula> (51)
C20H28O2

>  <MolWeight> (51)
300.43512

>  <Cat> (51)
S1653

>  <Name> (51)
All-trans Retinoic Acid (Tretinoin)

>  <Synonyms> (51)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (51)
Retinoid Receptor

>  <Form> (51)
Free Base

>  <CAS> (51)
302-79-4

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

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/01192109402D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    3.6289    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1728    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 24  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (52)
434

>  <Formula> (52)
C19H16ClNO4

>  <MolWeight> (52)
357.78764

>  <Cat> (52)
S1723

>  <Name> (52)
Indomethacin (Indocid, Indocin)

>  <Synonyms> (52)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (52)
COX

>  <Form> (52)
Free Base

>  <CAS> (52)
53-86-1

>  <URL> (52)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/01192109402D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (53)
459

>  <Formula> (53)
C8H12N4O5

>  <MolWeight> (53)
244.20468

>  <Cat> (53)
S1782

>  <Name> (53)
Azacitidine (Vidaza)

>  <Synonyms> (53)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (53)
DNA/RNA Synthesis

>  <Form> (53)
Free Base

>  <CAS> (53)
320-67-2

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

$$$$
clemastine fumarate.cdx
csChFnd80/01192109402D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.5672    8.8800    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
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (54)
479

>  <Formula> (54)
C25H30ClNO5

>  <MolWeight> (54)
459.9624

>  <Cat> (54)
S1847

>  <Name> (54)
Clemastine Fumarate

>  <Synonyms> (54)
Tavist, Agasten 

>  <Target> (54)
Histamine Receptor

>  <Form> (54)
Fumarate

>  <CAS> (54)
14976-57-9

>  <URL> (54)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

$$$$
Methylthiouracil.cdx
csChFnd80/01192109402D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (55)
481

>  <Formula> (55)
C5H6N2OS

>  <MolWeight> (55)
142.17894

>  <Cat> (55)
S3138

>  <Name> (55)
Methylthiouracil

>  <Synonyms> (55)
N/A

>  <Target> (55)
Others

>  <Form> (55)
Free Base

>  <CAS> (55)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/01192109402D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (56)
486

>  <Formula> (56)
C4H12ClN5

>  <MolWeight> (56)
165.62458

>  <Cat> (56)
S1950

>  <Name> (56)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (56)
Glucophage, Riomet, Diabex

>  <Target> (56)
Others

>  <Form> (56)
Hydrochloride

>  <CAS> (56)
1115-70-4

>  <URL> (56)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Miconazole nitrate.cdx
csChFnd80/01192109402D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1927    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 12 19  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 12  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (57)
488

>  <Formula> (57)
C18H15Cl4N3O4

>  <MolWeight> (57)
479.1414

>  <Cat> (57)
S1956

>  <Name> (57)
Miconazole nitrate

>  <Synonyms> (57)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (57)
Antifection

>  <Form> (57)
Nitrate 

>  <CAS> (57)
22832-87-7

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

$$$$
Tangeretin.cdx
csChFnd80/01192109402D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 11  1  0  0  0  0
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 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
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 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (58)
507

>  <Formula> (58)
C20H20O7

>  <MolWeight> (58)
372.3686

>  <Cat> (58)
S2363

>  <Name> (58)
Tangeretin (Tangeritin)

>  <Synonyms> (58)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (58)
ROS

>  <Form> (58)
Free Base

>  <CAS> (58)
481-53-8

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

$$$$
Indirubin.cdx
csChFnd80/01192109402D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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252935-94-7

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

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M  END
>  <Mol_ID> (63)
557

>  <Formula> (63)
C25H21N7O3

>  <MolWeight> (63)
467.47934

>  <Cat> (63)
S1219

>  <Name> (63)
YM201636

>  <Synonyms> (63)
N/A

>  <Target> (63)
PI3K 

>  <Form> (63)
Free Base

>  <CAS> (63)
371942-69-7

>  <URL> (63)
http://www.selleckchem.com/products/ym201636.html

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (64)
559

>  <Formula> (64)
C25H30ClI2NO3

>  <MolWeight> (64)
681.77254

>  <Cat> (64)
S1979

>  <Name> (64)
Amiodarone HCl

>  <Synonyms> (64)
N/A

>  <Target> (64)
Potassium Channel

>  <Form> (64)
Hydrochloride

>  <CAS> (64)
19774-82-4

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

$$$$
3-Methyladenine.cdx
csChFnd80/01192109402D

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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> (65)
562

>  <Formula> (65)
C6H7N5

>  <MolWeight> (65)
149.15328

>  <Cat> (65)
S2767

>  <Name> (65)
3-Methyladenine (3-MA)

>  <Synonyms> (65)
3-MA

>  <Target> (65)
PI3K

>  <Form> (65)
Free Base

>  <CAS> (65)
5142-23-4

>  <URL> (65)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
RG108.cdx
csChFnd80/01192109402D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
570

>  <Formula> (66)
C19H14N2O4

>  <MolWeight> (66)
334.32546

>  <Cat> (66)
S2821

>  <Name> (66)
RG108

>  <Synonyms> (66)
N/A 

>  <Target> (66)
Transferases

>  <Form> (66)
Free Base

>  <CAS> (66)
48208-26-0

>  <URL> (66)
http://www.selleckchem.com/products/rg108.html

$$$$
CUDC-907.cdx
csChFnd80/01192109402D

 36 40  0  0  0  0  0  0  0  0999 V2000
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1217486-61-7

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JAK

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1257704-57-6

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

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625

>  <Formula> (75)
C15H10O7

>  <MolWeight> (75)
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>  <Cat> (75)
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>  <Name> (75)
Quercetin (Sophoretin)

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Meletin, Quercetine

>  <Target> (75)
PI3K, PKC, Src, Sirtuin

>  <Form> (75)
Free Base

>  <CAS> (75)
117-39-5

>  <URL> (75)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
LDE225.cdx
csChFnd80/01192109402D

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>  <Synonyms> (76)
N/A 

>  <Target> (76)
Smoothened

>  <Form> (76)
Free Base

>  <CAS> (76)
956697-53-3

>  <URL> (76)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

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C9H6O4

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S2554

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Daphnetin

>  <Synonyms> (77)
N/A 

>  <Target> (77)
DNA/RNA Synthesis

>  <Form> (77)
Free Base

>  <CAS> (77)
486-35-1

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

$$$$
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662

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C23H25ClFN7O

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Gandotinib (LY2784544)

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N/A

>  <Target> (78)
JAK 

>  <Form> (78)
Free Base

>  <CAS> (78)
1229236-86-5

>  <URL> (78)
http://www.selleckchem.com/products/LY2784544.html

$$$$
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>  <Target> (79)
PI3K

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>  <CAS> (79)
900185-01-5 

>  <URL> (79)
http://www.selleckchem.com/products/PIK-293.html

$$$$
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>  <Mol_ID> (80)
684

>  <Formula> (80)
C23H26F2N2O4

>  <MolWeight> (80)
432.4603464

>  <Cat> (80)
S2215

>  <Name> (80)
DAPT (GSI-IX)

>  <Synonyms> (80)
GSI-IX

>  <Target> (80)
Gamma-secretase, Beta Amyloid

>  <Form> (80)
Free Base

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

>  <URL> (80)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

$$$$
Cryptotanshinone.cdx
csChFnd80/01192109402D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (81)
714

>  <Formula> (81)
C19H20O3

>  <MolWeight> (81)
296.3603

>  <Cat> (81)
S2285

>  <Name> (81)
Cryptotanshinone

>  <Synonyms> (81)
N/A

>  <Target> (81)
STAT

>  <Form> (81)
Free Base

>  <CAS> (81)
35825-57-1

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

$$$$
Emodin.cdx
csChFnd80/01192109402D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
720

>  <Formula> (82)
C15H10O5

>  <MolWeight> (82)
270.2369

>  <Cat> (82)
S2295

>  <Name> (82)
Emodin

>  <Synonyms> (82)
N/A

>  <Target> (82)
Dehydrogenase

>  <Form> (82)
Free Base

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

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

$$$$
Hesperetin.cdx
csChFnd80/01192109402D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (83)
731

>  <Formula> (83)
C16H14O6

>  <MolWeight> (83)
302.27876

>  <Cat> (83)
S2308

>  <Name> (83)
Hesperetin

>  <Synonyms> (83)
N/A

>  <Target> (83)
Histamine Receptor

>  <Form> (83)
Free Base

>  <CAS> (83)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/01192109402D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (84)
733

>  <Formula> (84)
C18H18O2

>  <MolWeight> (84)
266.33432

>  <Cat> (84)
S2310

>  <Name> (84)
Honokiol

>  <Synonyms> (84)
N/A

>  <Target> (84)
Akt, MEK

>  <Form> (84)
Free Base

>  <CAS> (84)
35354-74-6

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

$$$$
Myricitrin.cdx
csChFnd80/01192109402D

 33 36  0  0  0  0  0  0  0  0999 V2000
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   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (85)
746

>  <Formula> (85)
C21H20O12

>  <MolWeight> (85)
464.3763

>  <Cat> (85)
S2327

>  <Name> (85)
Myricitrin (Myricitrine)

>  <Synonyms> (85)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (85)
PKC

>  <Form> (85)
Free Base

>  <CAS> (85)
17912-87-7

>  <URL> (85)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Oxymatrine.cdx
csChFnd80/01192109402D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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
    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
    3.6373    6.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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> (86)
755

>  <Formula> (86)
C15H24N2O2

>  <MolWeight> (86)
264.36326

>  <Cat> (86)
S2338

>  <Name> (86)
Oxymatrine (Matrine N-oxide)

>  <Synonyms> (86)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (86)
Others

>  <Form> (86)
Free Base

>  <CAS> (86)
16837-52-8 

>  <URL> (86)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

$$$$
Quercetin dihydrate.cdx
csChFnd80/01192109402D

 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
    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
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (87)
762

>  <Formula> (87)
C15H14O9

>  <MolWeight> (87)
338.26626

>  <Cat> (87)
S2347

>  <Name> (87)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (87)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (87)
Others

>  <Form> (87)
Dihydrate

>  <CAS> (87)
6151-25-3

>  <URL> (87)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Curcumol.cdx
csChFnd80/01192109402D

 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
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    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  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  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> (88)
772

>  <Formula> (88)
C15H24O2

>  <MolWeight> (88)
236.34986

>  <Cat> (88)
S2407

>  <Name> (88)
Curcumol

>  <Synonyms> (88)
N/A

>  <Target> (88)
JAK

>  <Form> (88)
Free Base

>  <CAS> (88)
4871-97-0

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

$$$$
LY 411575.cdx
csChFnd80/01192109402D

 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
    4.8413    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 N   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
    8.4660    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6742    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2474    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5852    3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0967    5.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3967    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0123    6.5410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9861    5.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6874    6.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6011    7.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4967    5.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1967    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4967    7.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0967    7.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9359    2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9622    1.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3000    1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6115    2.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    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
  1  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
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 15  1  6  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  1  0  0  0  0
 23 17  1  0  0  0  0
 23 24  2  0  0  0  0
 22 25  1  0  0  0  0
 20 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 21  1  0  0  0  0
 18 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 19  1  0  0  0  0
 13 34  1  6  0  0  0
  9 35  1  6  0  0  0
M  END
>  <Mol_ID> (89)
794

>  <Formula> (89)
C26H23F2N3O4

>  <MolWeight> (89)
479.4753264

>  <Cat> (89)
S2714

>  <Name> (89)
LY411575

>  <Synonyms> (89)
N/A 

>  <Target> (89)
Gamma-secretase

>  <Form> (89)
Free Base

>  <CAS> (89)
209984-57-6

>  <URL> (89)
http://www.selleckchem.com/products/ly-411575.html

$$$$
TG1012009.cdx
csChFnd80/01192109402D

 36 39  0  0  0  0  0  0  0  0999 V2000
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Flt, JAK, c-RET

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Free Base

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936091-14-4

>  <URL> (90)
http://www.selleckchem.com/products/tg101209.html

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1086062-66-9 

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PI3K 

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Free Base

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870281-82-6

>  <URL> (92)
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900185-02-6

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122320-73-4

>  <URL> (94)
http://www.selleckchem.com/products/Rosiglitazone-Avandia.html

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BKM120 (NVP-BKM120)

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N/A 

>  <Target> (95)
PI3K

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Free Base

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944396-07-0

>  <URL> (95)
http://www.selleckchem.com/products/BKM-120.html

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>  <Target> (96)
PKC

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Free Base

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1009820-21-6

>  <URL> (96)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

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>  <CAS> (97)
700874-72-2

>  <URL> (97)
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>  <Mol_ID> (107)
914

>  <Formula> (107)
C33H32N4O4

>  <MolWeight> (107)
548.63158

>  <Cat> (107)
S2662

>  <Name> (107)
ICG-001

>  <Synonyms> (107)
N/A

>  <Target> (107)
Wnt/beta-catenin

>  <Form> (107)
Free Base

>  <CAS> (107)
780757-88-2

>  <URL> (107)
http://www.selleckchem.com/products/icg-001.html

$$$$
Geldanamycin.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (108)
922

>  <Formula> (108)
C29H40N2O9

>  <MolWeight> (108)
560.6359

>  <Cat> (108)
S2713

>  <Name> (108)
Geldanamycin

>  <Synonyms> (108)
N/A

>  <Target> (108)
HSP

>  <Form> (108)
Free Base

>  <CAS> (108)
30562-34-6

>  <URL> (108)
http://www.selleckchem.com/products/geldanamycin.html

$$$$
YO 01027.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (109)
928

>  <Formula> (109)
C26H23F2N3O3

>  <MolWeight> (109)
463.4759264

>  <Cat> (109)
S2711

>  <Name> (109)
YO-01027 (Dibenzazepine)

>  <Synonyms> (109)
N/A

>  <Target> (109)
Gamma-secretase

>  <Form> (109)
Free Base

>  <CAS> (109)
209984-56-5

>  <URL> (109)
http://www.selleckchem.com/products/yo-01027.html

$$$$
TG101348.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (110)
932

>  <Formula> (110)
C27H36N6O3S

>  <MolWeight> (110)
524.67814

>  <Cat> (110)
S2736

>  <Name> (110)
Fedratinib (SAR302503, TG101348)

>  <Synonyms> (110)
N/A

>  <Target> (110)
JAK 

>  <Form> (110)
Free Base

>  <CAS> (110)
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>  <URL> (110)
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1194044-20-6

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137-58-6

>  <URL> (116)
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IKK

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507475-17-4

>  <URL> (117)
http://www.selleckchem.com/products/tpca-1.html

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AZD 6482.cdx
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AZD6482

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N/A 

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PI3K

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1173900-33-8

>  <URL> (118)
http://www.selleckchem.com/products/azd6482.html

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Tideglusib.cdx
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>  <URL> (119)
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>  <URL> (120)
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AhR

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Free Base

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1227633-49-9

>  <URL> (121)
http://www.selleckchem.com/products/stemRegenin-1.html

$$$$
WHI-P154.cdx
csChFnd80/01192109402D

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JAK, EGFR

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Free Base

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211555-04-3

>  <URL> (122)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Forskolin.cdx
csChFnd80/01192109402D

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C22H34O7

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Forskolin

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Coleonol

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cAMP

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Free Base

>  <CAS> (123)
66575-29-9

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

$$$$
Pirfenidone.cdx
csChFnd80/01192109402D

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Pirfenidone

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N/A

>  <Target> (124)
TGF-beta/Smad

>  <Form> (124)
Free Base

>  <CAS> (124)
53179-13-8

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

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BI-D1870.cdx
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M  END
>  <Mol_ID> (130)
1172

>  <Formula> (130)
C20H22BrCl2N3O2S

>  <MolWeight> (130)
519.28258

>  <Cat> (130)
S1582

>  <Name> (130)
H 89 2HCl

>  <Synonyms> (130)
N/A

>  <Target> (130)
S6 Kinase

>  <Form> (130)
Dihydrochloride

>  <CAS> (130)
130964-39-5

>  <URL> (130)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Bexarotene.cdx
csChFnd80/01192109402D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
1211

>  <Formula> (131)
C24H28O2

>  <MolWeight> (131)
348.47792

>  <Cat> (131)
S2098

>  <Name> (131)
Bexarotene

>  <Synonyms> (131)
N/A

>  <Target> (131)
Retinoid Receptor

>  <Form> (131)
Free Base

>  <CAS> (131)
153559-49-0

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

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/01192109402D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.8903    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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  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> (132)
1240

>  <Formula> (132)
C18H14N4O5S

>  <MolWeight> (132)
398.39256

>  <Cat> (132)
S1576

>  <Name> (132)
Sulfasalazine (Azulfidine)

>  <Synonyms> (132)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (132)
COX,NF-¦ÊB

>  <Form> (132)
Free Base

>  <CAS> (132)
599-79-1

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

$$$$
Pifithrin-¦Á.cdx
csChFnd80/01192109402D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (133)
1245

>  <Formula> (133)
C16H19BrN2OS

>  <MolWeight> (133)
367.30386

>  <Cat> (133)
S2929

>  <Name> (133)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (133)
N/A

>  <Target> (133)
p53

>  <Form> (133)
HBr

>  <CAS> (133)
63208-82-2

>  <URL> (133)
http://www.selleckchem.com/products/pifithrin-alpha.html

$$$$
aicar.cdx
csChFnd80/01192109402D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
1256

>  <Formula> (134)
C9H14N4O5

>  <MolWeight> (134)
258.23126

>  <Cat> (134)
S1802

>  <Name> (134)
AICAR (Acadesine)

>  <Synonyms> (134)
AICAR, AICA-riboside

>  <Target> (134)
AMPK

>  <Form> (134)
Free Base

>  <CAS> (134)
2627-69-2

>  <URL> (134)
http://www.selleckchem.com/products/Acadesine.html

$$$$
nifuroxazide.cdx
csChFnd80/01192109402D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.6075    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> (135)
1368

>  <Formula> (135)
C12H9N3O5

>  <MolWeight> (135)
275.21696

>  <Cat> (135)
S4182

>  <Name> (135)
Nifuroxazide

>  <Synonyms> (135)
N/A

>  <Target> (135)
STAT

>  <Form> (135)
Free Base

>  <CAS> (135)
965-52-6

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

$$$$
Halcinonide.cdx
csChFnd80/01192109402D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
1534

>  <Formula> (140)
C44H69NO12

>  <MolWeight> (140)
804.01816

>  <Cat> (140)
S5003

>  <Name> (140)
Tacrolimus (FK506)

>  <Synonyms> (140)
FR900506

>  <Target> (140)
mTOR

>  <Form> (140)
Free Base

>  <CAS> (140)
104987-11-3

>  <URL> (140)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (141)
1689

>  <Formula> (141)
C14H23ClN2O

>  <MolWeight> (141)
270.79822

>  <Cat> (141)
S4667

>  <Name> (141)
Lidocaine hydrochloride

>  <Synonyms> (141)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (141)
Others

>  <Form> (141)
hydrochloride

>  <CAS> (141)
73-78-9

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

$$$$
S4747 Jervine.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (142)
1726

>  <Formula> (142)
C27H39NO3

>  <MolWeight> (142)
425.60346

>  <Cat> (142)
S4747

>  <Name> (142)
Jervine

>  <Synonyms> (142)
11-Ketocyclopamine

>  <Target> (142)
Hedgehog/Smoothened

>  <Form> (142)
Free Base

>  <CAS> (142)
469-59-0

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

$$$$
S4743 Wogonin.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (143)
1733

>  <Formula> (143)
C16H12O5

>  <MolWeight> (143)
284.26348

>  <Cat> (143)
S4743

>  <Name> (143)
Wogonin

>  <Synonyms> (143)
Vogonin

>  <Target> (143)
CDK

>  <Form> (143)
Free Base

>  <CAS> (143)
632-85-9

>  <URL> (143)
http://www.selleckchem.com/products/wogonin.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/01192109402D

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    3.8661    8.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814   12.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4222    7.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    5.9295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0814   10.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438    5.9295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7981    4.7677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8989    5.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3945    4.7677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    5.6788    3.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497    3.0665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6139    1.7110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9367    4.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.5561    3.6210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    0.5154    4.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   13.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9405   11.5905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9202    9.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2725    8.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    7.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091    6.6018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 65  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  8 12  1  0  0  0  0
 16  9  1  1  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  6  0  0  0
 13 19  1  0  0  0  0
 14 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 19 23  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  6  0  0  0
 23 29  1  0  0  0  0
 23 66  1  6  0  0  0
 24 30  1  0  0  0  0
 26 31  1  1  0  0  0
 26 32  1  0  0  0  0
 27 33  1  1  0  0  0
 27 32  1  0  0  0  0
 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
 32 38  1  6  0  0  0
 34 39  1  0  0  0  0
 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
 39 43  1  1  0  0  0
 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
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 60 61  1  0  0  0  0
 61 64  1  1  0  0  0
 39 68  1  6  0  0  0
 68 69  1  0  0  0  0
 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (144)
1763

>  <Formula> (144)
C48H78O19

>  <MolWeight> (144)
959.12152

>  <Cat> (144)
S3616

>  <Name> (144)
Asiaticoside

>  <Synonyms> (144)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (144)
Others

>  <Form> (144)
free base

>  <CAS> (144)
16830-15-2

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/01192109402D

 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> (145)
1772

>  <Formula> (145)
C9H10O4

>  <MolWeight> (145)
182.1733

>  <Cat> (145)
S3630

>  <Name> (145)
Methyl Vanillate

>  <Synonyms> (145)
N/A

>  <Target> (145)
Wnt/¦Â-Catenin

>  <Form> (145)
free base

>  <CAS> (145)
3943-74-6

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/01192109402D

 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> (146)
1788

>  <Formula> (146)
C11H8O3

>  <MolWeight> (146)
188.17942

>  <Cat> (146)
S3661

>  <Name> (146)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (146)
N/A

>  <Target> (146)
PKC

>  <Form> (146)
free base

>  <CAS> (146)
2348-82-5

>  <URL> (146)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/01192109402D

 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> (147)
1840

>  <Formula> (147)
C17H17N3Na2O8

>  <MolWeight> (147)
437.31172

>  <Cat> (147)
S3745

>  <Name> (147)
Balsalazide disodium

>  <Synonyms> (147)
N/A

>  <Target> (147)
Immunology & Inflammation related

>  <Form> (147)
disodium salt dihydrate

>  <CAS> (147)
150399-21-6

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

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/01192109402D

 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
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   10.5334    6.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    6.1539    4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (148)
1875

>  <Formula> (148)
C26H45NO6S

>  <MolWeight> (148)
499.7036

>  <Cat> (148)
S3654

>  <Name> (148)
Tauroursodeoxycholic Acid

>  <Synonyms> (148)
N/A

>  <Target> (148)
Others

>  <Form> (148)
free base

>  <CAS> (148)
14605-22-2

>  <URL> (148)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/01192109402D

 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> (149)
1878

>  <Formula> (149)
C16H16O4

>  <MolWeight> (149)
272.29584

>  <Cat> (149)
S3940

>  <Name> (149)
3'-Hydroxypterostilbene

>  <Synonyms> (149)
3'-HPT

>  <Target> (149)
Others

>  <Form> (149)
free base

>  <CAS> (149)
475231-21-1

>  <URL> (149)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/01192109402D

 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> (150)
1888

>  <Formula> (150)
C6H13NO4

>  <MolWeight> (150)
163.17172

>  <Cat> (150)
S3839

>  <Name> (150)
1-Deoxynojirimycin

>  <Synonyms> (150)
duvoglustat, moranolin

>  <Target> (150)
¦Á-glucosidase

>  <Form> (150)
free base

>  <CAS> (150)
19130-96-2

>  <URL> (150)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/01192109402D

 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> (151)
1892

>  <Formula> (151)
C19H20O5

>  <MolWeight> (151)
328.3591

>  <Cat> (151)
S3819

>  <Name> (151)
Decursinol angelate

>  <Synonyms> (151)
N/A

>  <Target> (151)
PKC

>  <Form> (151)
free base

>  <CAS> (151)
130848-06-5

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

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/01192109402D

 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> (152)
1909

>  <Formula> (152)
C21H20O12

>  <MolWeight> (152)
464.3763

>  <Cat> (152)
S3842

>  <Name> (152)
Isoquercitrin

>  <Synonyms> (152)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (152)
Wnt/¦Â-catenin

>  <Form> (152)
free base

>  <CAS> (152)
482-35-9

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

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/01192109402D

 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> (153)
1922

>  <Formula> (153)
C19H24ClNO4

>  <MolWeight> (153)
365.85116

>  <Cat> (153)
S3758

>  <Name> (153)
Sinomenine hydrochloride

>  <Synonyms> (153)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (153)
Immunology & Inflammation

>  <Form> (153)
hydrochloride

>  <CAS> (153)
6080-33-7

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

$$$$
S3783 Echinacoside.cdx
csChFnd80/01192109402D

 55 59  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  6  0  0  0
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 25 32  1  0  0  0  0
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 26 34  1  6  0  0  0
 27 35  1  0  0  0  0
 27 36  2  0  0  0  0
 28 37  1  0  0  0  0
 29 38  1  6  0  0  0
 32 39  1  0  0  0  0
 32 40  1  1  0  0  0
 33 41  1  1  0  0  0
 33 39  1  0  0  0  0
 35 42  2  0  0  0  0
 36 43  1  0  0  0  0
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 37 45  1  0  0  0  0
 39 46  1  6  0  0  0
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M  END
>  <Mol_ID> (154)
1927

>  <Formula> (154)
C35H46O20

>  <MolWeight> (154)
786.72774

>  <Cat> (154)
S3783

>  <Name> (154)
Echinacoside

>  <Synonyms> (154)
N/A

>  <Target> (154)
Others

>  <Form> (154)
free base

>  <CAS> (154)
82854-37-3

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

$$$$
S3787 Picroside I.cdx
csChFnd80/01192109402D

 38 42  0  0  0  0  0  0  0  0999 V2000
   15.8873    5.8563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7069    6.9896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5571    6.2863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2798    5.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5998    4.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8844    8.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5571    7.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    5.5857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3143    9.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3438    4.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1261    6.2888    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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  2  4  1  6  0  0  0
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  6  7  1  0  0  0  0
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 10 13  2  0  0  0  0
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  5 27  1  0  0  0  0
 14 28  1  6  0  0  0
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 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
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 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (155)
1930

>  <Formula> (155)
C24H28O11

>  <MolWeight> (155)
492.47252

>  <Cat> (155)
S3787

>  <Name> (155)
Picroside I

>  <Synonyms> (155)
6'-Cinnamoylcatalpol

>  <Target> (155)
Antifection

>  <Form> (155)
free base

>  <CAS> (155)
27409-30-9

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/01192109402D

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1980

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Astragaloside IV

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AST-IV, AS-IV

>  <Target> (156)
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free base

>  <CAS> (156)
84687-43-4

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

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TGF-beta/Smad

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700874-71-1 

>  <URL> (157)
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>  <Mol_ID> (158)
2003

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C23H17FN6O

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Capmatinib (INCB28060)

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N/A

>  <Target> (158)
c-Met 

>  <Form> (158)
Free Base

>  <CAS> (158)
1029712-80-8

>  <URL> (158)
http://www.selleckchem.com/products/incb28060.html

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>  <Mol_ID> (159)
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AMD3100 

>  <Target> (159)
CXCR

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155148-31-5

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1118807-13-8

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PP1

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Src

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Free Base

>  <CAS> (164)
172889-26-8

>  <URL> (164)
http://www.selleckchem.com/products/pp1.html

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csChFnd80/01192109402D

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C23H27N5

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SANT-1

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Smoothened

>  <Form> (165)
Free Base

>  <CAS> (165)
304909-07-7

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

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RKI-1447.cdx
csChFnd80/01192109402D

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2048

>  <Formula> (166)
C16H14N4O2S

>  <MolWeight> (166)
326.37296

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S7195

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RKI-1447

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N/A

>  <Target> (166)
ROCK

>  <Form> (166)
Free Base

>  <CAS> (166)
1342278-01-6

>  <URL> (166)
http://www.selleckchem.com/products/rki-1447.html

$$$$
S3868 Harmine.cdx
csChFnd80/01192109402D

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2069

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C13H12N2O

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212.24718

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S3868

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Harmine

>  <Synonyms> (167)
telepathine

>  <Target> (167)
PPAR¦Ã,MAO-A

>  <Form> (167)
free base

>  <CAS> (167)
442-51-3

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

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/01192109402D

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2107

>  <Formula> (168)
C6H6N2O2

>  <MolWeight> (168)
138.12404

>  <Cat> (168)
S4785

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Nicotinamide N-oxide

>  <Synonyms> (168)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (168)
Others

>  <Form> (168)
free base

>  <CAS> (168)
1986-81-8

>  <URL> (168)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/01192109402D

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2128

>  <Formula> (169)
C15H12O2

>  <MolWeight> (169)
224.25458

>  <Cat> (169)
S4763

>  <Name> (169)
4-Hydroxychalcone

>  <Synonyms> (169)
P-Cinnamoylphenol

>  <Target> (169)
Others

>  <Form> (169)
free base

>  <CAS> (169)
20426-12-4

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

$$$$
S3951 Tannic acid.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (170)
2136

>  <Formula> (170)
C76H52O46

>  <MolWeight> (170)
1701.19848

>  <Cat> (170)
S3951

>  <Name> (170)
Tannic acid

>  <Synonyms> (170)
Gallotannic acid

>  <Target> (170)
CXCR4 

>  <Form> (170)
free base

>  <CAS> (170)
1401-55-4

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

$$$$
S4990 TBHQ.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (171)
2181

>  <Formula> (171)
C10H14O2

>  <MolWeight> (171)
166.21696

>  <Cat> (171)
S4990

>  <Name> (171)
TBHQ

>  <Synonyms> (171)
Tert-butylhydroquinone

>  <Target> (171)
Nrf2

>  <Form> (171)
free base

>  <CAS> (171)
1948-33-0

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (172)
2213

>  <Formula> (172)
C18H16O7

>  <MolWeight> (172)
344.31544

>  <Cat> (172)
S4953

>  <Name> (172)
Usnic acid

>  <Synonyms> (172)
Usniacin

>  <Target> (172)
Others

>  <Form> (172)
free base

>  <CAS> (172)
125-46-2

>  <URL> (172)
http://selleckchem.com/products/usnic-acid.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/01192109402D

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    6.0617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2120    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (173)
2231

>  <Formula> (173)
C10H13N5O

>  <MolWeight> (173)
219.24312

>  <Cat> (173)
S4884

>  <Name> (173)
Trans-Zeatin

>  <Synonyms> (173)
(E)-Zeatin

>  <Target> (173)
Others

>  <CAS> (173)
1637-39-4

>  <URL> (173)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/01192109402D

 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
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    8.4818    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6323    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4201    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (174)
2263

>  <Formula> (174)
C15H12O2

>  <MolWeight> (174)
224.25458

>  <Cat> (174)
S4937

>  <Name> (174)
4'-Hydroxychalcone

>  <Synonyms> (174)
P-Cinnamoylphenol

>  <Target> (174)
Others

>  <Form> (174)
free base

>  <CAS> (174)
2657-25-2

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

$$$$
Sodium valproate.cdx
csChFnd80/01192109402D

 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
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  5  8  2  0  0  0  0
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 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (175)
2268

>  <Formula> (175)
C8H15NaO2

>  <MolWeight> (175)
166.19327

>  <Cat> (175)
S1168

>  <Name> (175)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (175)
N/A 

>  <Target> (175)
GABA Receptor, HDAC

>  <CAS> (175)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/01192109402D

 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
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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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M  END
>  <Mol_ID> (176)
2271

>  <Formula> (176)
C47H80O18

>  <MolWeight> (176)
933.1273

>  <Cat> (176)
S3785

>  <Name> (176)
Notoginsenoside R1

>  <Synonyms> (176)
Sanchinoside R1

>  <Target> (176)
Others

>  <Form> (176)
free base

>  <CAS> (176)
80418-24-2

>  <URL> (176)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
Isotretinoin.cdx
csChFnd80/01192109402D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (177)
2281

>  <Formula> (177)
C20H28O2

>  <MolWeight> (177)
300.43512

>  <Cat> (177)
S1379

>  <Name> (177)
Isotretinoin 

>  <Synonyms> (177)
13-cis retinoic acid

>  <Target> (177)
hydroxylase

>  <Form> (177)
free base

>  <CAS> (177)
4759-48-2

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (178)
2289

>  <Formula> (178)
C21H18O12

>  <MolWeight> (178)
462.36042

>  <Cat> (178)
S3810

>  <Name> (178)
Scutellarin

>  <Synonyms> (178)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (178)
Others

>  <Form> (178)
free base

>  <CAS> (178)
27740-01-8

>  <URL> (178)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (179)
2297

>  <Formula> (179)
C21H46NO4P

>  <MolWeight> (179)
407.568001

>  <Cat> (179)
S3056

>  <Name> (179)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (179)
N/A

>  <Target> (179)
Akt

>  <Form> (179)
Free Base

>  <CAS> (179)
58066-85-6

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

$$$$
NU7026.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (180)
2302

>  <Formula> (180)
C17H15NO3

>  <MolWeight> (180)
281.3059

>  <Cat> (180)
S2893

>  <Name> (180)
NU7026

>  <Synonyms> (180)
N/A

>  <Target> (180)
DNA-PK

>  <Form> (180)
Free Base

>  <CAS> (180)
154447-35-5

>  <URL> (180)
http://www.selleckchem.com/products/nu7026.html

$$$$
GSK2636771.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (181)
2321

>  <Formula> (181)
C22H22F3N3O3

>  <MolWeight> (181)
433.4235896

>  <Cat> (181)
S8002

>  <Name> (181)
GSK2636771

>  <Synonyms> (181)
N/A

>  <Target> (181)
PI3K

>  <Form> (181)
Free Base

>  <CAS> (181)
1372540-25-4

>  <URL> (181)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
Plerixafor.cdx
csChFnd80/01192109402D

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CXCR

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Free Base

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110078-46-1

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

$$$$
IPI-145.cdx
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Duvelisib (IPI-145, INK1197)

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N/A

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PI3K

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Free Base

>  <CAS> (183)
1201438-56-3

>  <URL> (183)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/01192109402D

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IWR-1-endo

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Wnt/beta-catenin

>  <Form> (184)
Free Base

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1127442-82-3

>  <URL> (184)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/01192109402D

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N/A

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STAT

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19983-44-9

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

$$$$
Butein.cdx
csChFnd80/01192109402D

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   10.9365    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7255    0.0000    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
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 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (186)
2361

>  <Formula> (186)
C15H12O5

>  <MolWeight> (186)
272.25278

>  <Cat> (186)
S8036

>  <Name> (186)
Butein

>  <Synonyms> (186)
N/A

>  <Target> (186)
EGFR

>  <Form> (186)
Free Base

>  <CAS> (186)
487-52-5

>  <URL> (186)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/01192109402D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.8947    2.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (187)
2369

>  <Formula> (187)
C18H16N2O2

>  <MolWeight> (187)
292.33184

>  <Cat> (187)
S7099

>  <Name> (187)
(-)-Blebbistatin

>  <Synonyms> (187)
N/A

>  <Target> (187)
ATPase

>  <Form> (187)
Free Base

>  <CAS> (187)
856925-71-8

>  <URL> (187)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
untitled.cdx
csChFnd80/01192109402D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7097    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
  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> (188)
2376

>  <Formula> (188)
C21H16N6O2S2

>  <MolWeight> (188)
448.52074

>  <Cat> (188)
S1118

>  <Name> (188)
XL147 analogue

>  <Synonyms> (188)
SAR245408

>  <Target> (188)
PI3K 

>  <Form> (188)
Free Base

>  <CAS> (188)
956958-53-5

>  <URL> (188)
http://www.selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/01192109402D

 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
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  2 10  1  0  0  0  0
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 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
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 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> (189)
2380

>  <Formula> (189)
C16H15BrClN5O4S

>  <MolWeight> (189)
488.7434

>  <Cat> (189)
S1205

>  <Name> (189)
PIK-75 

>  <Synonyms> (189)
N/A

>  <Target> (189)
PI3K, DNA-PK

>  <Form> (189)
Hydrochloride

>  <CAS> (189)
372196-77-5

>  <URL> (189)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
Ellagic acid.cdx
csChFnd80/01192109402D

 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
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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
  4  7  2  0  0  0  0
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  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
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 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> (190)
2392

>  <Formula> (190)
C14H6O8

>  <MolWeight> (190)
302.19264

>  <Cat> (190)
S1327

>  <Name> (190)
Ellagic acid

>  <Synonyms> (190)
N/A

>  <Target> (190)
Topoisomerases

>  <Form> (190)
Free Base

>  <CAS> (190)
476-66-4

>  <URL> (190)
http://www.selleckchem.com/products/Ellagic-acid.html

$$$$
Ketoconazole.cdx
csChFnd80/01192109402D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 28 24  1  0  0  0  0
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 34 35  1  0  0  0  0
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M  END
>  <Mol_ID> (191)
2396

>  <Formula> (191)
C26H28Cl2N4O4

>  <MolWeight> (191)
531.43092

>  <Cat> (191)
S1353

>  <Name> (191)
Ketoconazole

>  <Synonyms> (191)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (191)
P450

>  <Form> (191)
Free Base

>  <CAS> (191)
65277-42-1

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

$$$$
bms-707035.cdx
csChFnd80/01192109402D

 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
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    5.8531    0.8624    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
 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
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 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (192)
2397

>  <Formula> (192)
C18H11N3O2S

>  <MolWeight> (192)
333.36384

>  <Cat> (192)
S1360

>  <Name> (192)
GSK1059615

>  <Synonyms> (192)
N/A

>  <Target> (192)
PI3K, mTOR

>  <Form> (192)
Free Base

>  <CAS> (192)
958852-01-2

>  <URL> (192)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
S3003 Dinoprostone.cdx
csChFnd80/01192109402D

 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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   11.4416    0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (193)
2401

>  <Formula> (193)
C20H32O5

>  <MolWeight> (193)
352.46508

>  <Cat> (193)
S3003

>  <Name> (193)
Dinoprostone

>  <Form> (193)
free base

>  <CAS> (193)
363-24-6

$$$$
LY2228820.cdx
csChFnd80/01192109402D

 41 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    8.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    8.2882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    8.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6229   10.5535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 16 11  1  0  0  0  0
 10 17  2  0  0  0  0
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 21 10  1  0  0  0  0
 14 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 30  1  0  0  0  0
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 32 33  1  0  0  0  0
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 37 38  1  0  0  0  0
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 38 40  2  0  0  0  0
 38 41  1  0  0  0  0
M  END
>  <Mol_ID> (194)
2405

>  <Formula> (194)
C26H37FN6O6S2

>  <MolWeight> (194)
612.7369832

>  <Cat> (194)
S1494

>  <Name> (194)
LY2228820

>  <Synonyms> (194)
N/A

>  <Target> (194)
p38 MAPK

>  <Form> (194)
Dimesylate

>  <CAS> (194)
862507-23-1

>  <URL> (194)
http://www.selleckchem.com/products/LY2228820.html

$$$$
Sodium butyrate.cdx
csChFnd80/01192109402D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    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
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (195)
2426

>  <Formula> (195)
C4H7NaO2

>  <MolWeight> (195)
110.08695

>  <Cat> (195)
S1999

>  <Name> (195)
Sodium butyrate

>  <Synonyms> (195)
Butyric acid sodium salt

>  <Target> (195)
HDAC

>  <Form> (195)
Sodium Salt

>  <CAS> (195)
156-54-7

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

$$$$
Itraconazole.cdx
csChFnd80/01192109402D

 49 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (196)
2438

>  <Formula> (196)
C35H38Cl2N8O4

>  <MolWeight> (196)
705.63342

>  <Cat> (196)
S2476

>  <Name> (196)
Itraconazole (Sporanox)

>  <Synonyms> (196)
Sporanox

>  <Target> (196)
P450 (e.g. CYP17)

>  <Form> (196)
Free Base

>  <CAS> (196)
84625-61-6

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

$$$$
PK-1587.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (197)
2451

>  <Formula> (197)
C32H41N9O4

>  <MolWeight> (197)
615.72584

>  <Cat> (197)
S2628

>  <Name> (197)
PF-05212384 (PKI-587)

>  <Synonyms> (197)
N/A 

>  <Target> (197)
mTOR, PI3K

>  <Form> (197)
Free Base

>  <CAS> (197)
1197160-78-3

>  <URL> (197)
http://www.selleckchem.com/products/pki587.html

$$$$
3.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (198)
2452

>  <Formula> (198)
C26H24F4N6O

>  <MolWeight> (198)
512.5019728

>  <Cat> (198)
S2157

>  <Name> (198)
Taladegib (LY2940680)

>  <Synonyms> (198)
N/A

>  <Target> (198)
Hedgehog, Smoothened

>  <Form> (198)
Free Base

>  <CAS> (198)
1258861-20-9

>  <URL> (198)
http://www.selleckchem.com/products/ly2940680.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/01192109402D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
2455

>  <Formula> (199)
C25H19NO3S

>  <MolWeight> (199)
413.48826

>  <Cat> (199)
S2638

>  <Name> (199)
NU7441(KU-57788)

>  <Synonyms> (199)
N/A 

>  <Target> (199)
DNA-PK, PI3K

>  <Form> (199)
Free Base

>  <CAS> (199)
503468-95-9 

>  <URL> (199)
http://www.selleckchem.com/products/nu7441.html

$$$$
Trazodone hydrochloride.cdx
csChFnd80/01192109402D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (200)
2462

>  <Formula> (200)
C19H23Cl2N5O

>  <MolWeight> (200)
408.32482

>  <Cat> (200)
S2582

>  <Name> (200)
Trazodone hydrochloride (Desyrel)

>  <Synonyms> (200)
N/A 

>  <Target> (200)
5-HT Receptor

>  <Form> (200)
Hydrochloride

>  <CAS> (200)
25332-39-2 

>  <URL> (200)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/01192109402D

 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
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M  END
>  <Mol_ID> (201)
2463

>  <Formula> (201)
C23H14Na2O11

>  <MolWeight> (201)
512.3302

>  <Cat> (201)
S1911

>  <Name> (201)
Disodium Cromoglycate

>  <Synonyms> (201)
Gynazole

>  <Target> (201)
Calcium Channel

>  <Form> (201)
Disodium Salt

>  <CAS> (201)
15826-37-6

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

$$$$
Wnt-C59 (C59).cdx
csChFnd80/01192109402D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 29 24  1  0  0  0  0
M  END
>  <Mol_ID> (202)
2476

>  <Formula> (202)
C25H21N3O

>  <MolWeight> (202)
379.45374

>  <Cat> (202)
S7037

>  <Name> (202)
Wnt-C59 (C59)

>  <Synonyms> (202)
N/A

>  <Target> (202)
Wnt/beta-catenin

>  <Form> (202)
Free Base

>  <CAS> (202)
1243243-89-1

>  <URL> (202)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
Nefopam HCl.cdx
csChFnd80/01192109402D

 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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  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (203)
2479

>  <Formula> (203)
C17H20ClNO

>  <MolWeight> (203)
289.7998

>  <Cat> (203)
S4180

>  <Name> (203)
Nefopam HCl

>  <Synonyms> (203)
N/A

>  <Target> (203)
Others

>  <Form> (203)
Hydrochloride

>  <CAS> (203)
23327-57-3

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

$$$$
AZD8186.cdx
csChFnd80/01192109402D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (204)
2510

>  <Formula> (204)
C24H25F2N3O4

>  <MolWeight> (204)
457.4698064

>  <Cat> (204)
S7694

>  <Name> (204)
AZD8186

>  <Synonyms> (204)
N/A

>  <Target> (204)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (204)
Free Base

>  <CAS> (204)
1627494-13-6

>  <URL> (204)
http://www.selleckchem.com/products/azd8186.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/01192109402D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  1  0  0  0
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 16 25  1  0  0  0  0
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (205)
2511

>  <Formula> (205)
C18H23N5NaO8P

>  <MolWeight> (205)
491.367451

>  <Cat> (205)
S7858

>  <Name> (205)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (205)
dbcAMP

>  <Target> (205)
PKA

>  <Form> (205)
sodium salt

>  <CAS> (205)
16980-89-5

>  <URL> (205)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/01192109402D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  1  0  0  0
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (206)
2515

>  <Formula> (206)
C10H10BrN5NaO6P

>  <MolWeight> (206)
430.083831

>  <Cat> (206)
S7857

>  <Name> (206)
8-Bromo-cAMP

>  <Synonyms> (206)
N/A

>  <Target> (206)
PKA

>  <Form> (206)
sodium salt

>  <CAS> (206)
76939-46-3

>  <URL> (206)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (207)
2518

>  <Formula> (207)
C28H29Cl2N3OS

>  <MolWeight> (207)
526.52036

>  <Cat> (207)
S7779

>  <Name> (207)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (207)
N/A

>  <Target> (207)
Hedgehog/Smoothened

>  <Form> (207)
Hydrochloride

>  <CAS> (207)
912545-86-9

>  <URL> (207)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (208)
2524

>  <Formula> (208)
C28H32O6

>  <MolWeight> (208)
464.55008

>  <Cat> (208)
S7259

>  <Name> (208)
FLLL32

>  <Synonyms> (208)
N/A

>  <Target> (208)
JAK

>  <Form> (208)
Free Base

>  <CAS> (208)
1226895-15-3

>  <URL> (208)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (209)
2527

>  <Formula> (209)
C26H44NNaO6S

>  <MolWeight> (209)
521.68543

>  <Cat> (209)
S7896

>  <Name> (209)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (209)
N/A

>  <Target> (209)
Antifection

>  <Form> (209)
sodium salt

>  <CAS> (209)
35807-85-3

>  <URL> (209)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/01192109402D

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>  <Mol_ID> (210)
2528

>  <Formula> (210)
C24H28N8O2

>  <MolWeight> (210)
460.53152

>  <Cat> (210)
S7103

>  <Name> (210)
GDC-0032

>  <Synonyms> (210)
RG7604

>  <Target> (210)
PI3K

>  <Form> (210)
Free Base

>  <CAS> (210)
1282512-48-4

>  <URL> (210)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/01192109402D

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2531

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C11H10N2O2S

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>  <Name> (211)
Isoxazole 9 (ISX-9)

>  <Synonyms> (211)
N/A

>  <Target> (211)
Others

>  <Form> (211)
Free Base

>  <CAS> (211)
832115-62-5

>  <URL> (211)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
PF-03084014.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (212)
2536

>  <Formula> (212)
C27H41F2N5O

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>  <Cat> (212)
S8018

>  <Name> (212)
PF-03084014 (PF-3084014)

>  <Synonyms> (212)
N/A

>  <Target> (212)
Gamma-secretase

>  <Form> (212)
Free Base

>  <CAS> (212)
1290543-63-3

>  <URL> (212)
http://www.selleckchem.com/products/pf-03084014-pf-3084014.html

$$$$

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>  <Mol_ID> (213)
2546

>  <Formula> (213)
C17H16N2O3

>  <MolWeight> (213)
296.32054

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S7667

>  <Name> (213)
SU5402

>  <Synonyms> (213)
N/A

>  <Target> (213)
VEGFR

>  <Form> (213)
Free Base

>  <CAS> (213)
215543-92-3

>  <URL> (213)
http://www.selleckchem.com/products/su5402.html

$$$$
P7C3.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (214)
2549

>  <Formula> (214)
C21H18Br2N2O

>  <MolWeight> (214)
474.18842

>  <Cat> (214)
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>  <Name> (214)
P7C3

>  <Synonyms> (214)
N/A

>  <Target> (214)
NAMPT

>  <Form> (214)
Free Base

>  <CAS> (214)
301353-96-8

>  <URL> (214)
http://www.selleckchem.com/products/p7c3.html

$$$$
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 29  4  2  0  0  0  0
M  END
>  <Mol_ID> (215)
2550

>  <Formula> (215)
C24H26N4O

>  <MolWeight> (215)
386.48944

>  <Cat> (215)
S7963

>  <Name> (215)
TIC10

>  <Synonyms> (215)
N/A

>  <Target> (215)
Akt

>  <Form> (215)
Free Base

>  <CAS> (215)
1616632-77-9

>  <URL> (215)
http://www.selleck.cn/products/tic-10.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/01192109402D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
2552

>  <Formula> (216)
C18H12BrN3O3

>  <MolWeight> (216)
398.21018

>  <Cat> (216)
S7915

>  <Name> (216)
BIO-acetoxime

>  <Synonyms> (216)
N/A

>  <Target> (216)
GSK-3

>  <Form> (216)
Free Base

>  <CAS> (216)
667463-85-6

>  <URL> (216)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/01192109402D

 29 33  0  0  0  0  0  0  0  0999 V2000
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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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 11  2  1  0  0  0  0
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 29 11  1  0  0  0  0
M  END
>  <Mol_ID> (217)
2555

>  <Formula> (217)
C21H16FN7

>  <MolWeight> (217)
385.3970432

>  <Cat> (217)
S7813

>  <Name> (217)
AMG319

>  <Synonyms> (217)
N/A

>  <Target> (217)
PI3K

>  <Form> (217)
Free Base

>  <CAS> (217)
1608125-21-8

>  <URL> (217)
http://www.selleckchem.com/products/amg319.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/01192109402D

 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> (218)
2567

>  <Formula> (218)
C8H16O2

>  <MolWeight> (218)
144.21144

>  <Cat> (218)
S3944

>  <Name> (218)
Valproic acid

>  <Synonyms> (218)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (218)
HDAC1

>  <Form> (218)
free base

>  <CAS> (218)
99-66-1

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

$$$$
S3788 Carvacrol.cdx
csChFnd80/01192109402D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (219)
2582

>  <Formula> (219)
C10H14O

>  <MolWeight> (219)
150.21756

>  <Cat> (219)
S3788

>  <Name> (219)
Carvacrol

>  <Synonyms> (219)
cymophenol

>  <Target> (219)
Others

>  <Form> (219)
free base

>  <CAS> (219)
499-75-2

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

$$$$
Minocycline hydrochloride.cdx
csChFnd80/01192109402D

 36 38  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (220)
2605

>  <Formula> (220)
C23H28ClN3O7

>  <MolWeight> (220)
493.93732

>  <Cat> (220)
S4226

>  <Name> (220)
Minocycline HCl

>  <Synonyms> (220)
N/A

>  <Target> (220)
Antifectio

>  <Form> (220)
Hydrochloride

>  <CAS> (220)
13614-98-7

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

$$$$
SKI II (SphK-I2).cdx
csChFnd80/01192109402D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   11.5913    0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (221)
2614

>  <Formula> (221)
C15H11ClN2OS

>  <MolWeight> (221)
302.77864

>  <Cat> (221)
S7176

>  <Name> (221)
SKI II

>  <Synonyms> (221)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (221)
S1P Receptor

>  <Form> (221)
Free Base

>  <CAS> (221)
312636-16-1

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

$$$$
purmorphamine.cdx
csChFnd80/01192109402D

 39 45  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (222)
2617

>  <Formula> (222)
C31H32N6O2

>  <MolWeight> (222)
520.62478

>  <Cat> (222)
S3042

>  <Name> (222)
Purmorphamine

>  <Synonyms> (222)
N/A

>  <Target> (222)
Hedgehog/Smoothened

>  <Form> (222)
Free Base

>  <CAS> (222)
483367-10-8

>  <URL> (222)
http://www.selleckchem.com/products/purmorphamine.html

$$$$
brefeldin A.cdx
csChFnd80/01192109402D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.5129    3.3048    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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  4  5  1  0  0  0  0
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  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13  8  2  0  0  0  0
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 16 12  1  0  0  0  0
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 10 20  1  6  0  0  0
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 11 22  1  6  0  0  0
M  END
>  <Mol_ID> (223)
2619

>  <Formula> (223)
C16H24O4

>  <MolWeight> (223)
280.35936

>  <Cat> (223)
S7046

>  <Name> (223)
Brefeldin A 

>  <Synonyms> (223)
BFA

>  <Target> (223)
ATPase

>  <Form> (223)
Free Base

>  <CAS> (223)
20350-15-6

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

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/01192109402D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (224)
2625

>  <Formula> (224)
C16H10BrN3O2

>  <MolWeight> (224)
356.1735

>  <Cat> (224)
S7198

>  <Name> (224)
BIO

>  <Synonyms> (224)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (224)
GSK-3

>  <Form> (224)
Free Base

>  <CAS> (224)
667463-62-9

>  <URL> (224)
http://www.selleckchem.com/products/bio.html

$$$$
OAC1.cdx
csChFnd80/01192109402D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (225)
2628

>  <Formula> (225)
C14H11N3O

>  <MolWeight> (225)
237.25664

>  <Cat> (225)
S7217

>  <Name> (225)
OAC1

>  <Synonyms> (225)
Oct4-activating Compound 1

>  <Target> (225)
Others

>  <Form> (225)
Free Base

>  <CAS> (225)
300586-90-7

>  <URL> (225)
http://www.selleckchem.com/products/oac1.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/01192109402D

 22 25  0  0  0  0  0  0  0  0999 V2000
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446859-33-2

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486424-20-8

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

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ZM 39923 HCl

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JAK

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HCl

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1021868-92-7

>  <URL> (228)
http://www.selleckchem.com/products/zm-39923-hcl.html

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91396-88-2

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>  <Mol_ID> (230)
2640

>  <Formula> (230)
C26H27N5O5S2

>  <MolWeight> (230)
553.65308

>  <Cat> (230)
S7207

>  <Name> (230)
Ro 31-8220 Mesylate

>  <Synonyms> (230)
Bisindolylmaleimide IX Mesylate

>  <Target> (230)
PKC

>  <Form> (230)
Mesylate

>  <CAS> (230)
138489-18-6

>  <URL> (230)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
CZC24832.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (231)
2643

>  <Formula> (231)
C15H17FN6O2S

>  <MolWeight> (231)
364.3978832

>  <Cat> (231)
S7018

>  <Name> (231)
CZC24832

>  <Synonyms> (231)
N/A

>  <Target> (231)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (231)
Free Base

>  <CAS> (231)
1159824-67-5

>  <URL> (231)
http://www.selleckchem.com/products/czc24832.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/01192109402D

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>  <Mol_ID> (232)
2650

>  <Formula> (232)
C24H27Cl2N5O

>  <MolWeight> (232)
472.41008

>  <Cat> (232)
S7306

>  <Name> (232)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (232)
BML-275,Compound C

>  <Target> (232)
AMPK

>  <Form> (232)
Dihydrochloride

>  <CAS> (232)
1219168-18-9

>  <URL> (232)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
pimozide.cdx
csChFnd80/01192109402D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (233)
2696

>  <Formula> (233)
C28H29F2N3O

>  <MolWeight> (233)
461.5461664

>  <Cat> (233)
S4358

>  <Name> (233)
pimozide

>  <Synonyms> (233)
N/A

>  <Target> (233)
Others

>  <Form> (233)
Free Base

>  <CAS> (233)
2062-78-4

>  <URL> (233)
http://www.selleckchem.com/products/pimozide.html

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (234)
2705

>  <Formula> (234)
C21H27ClN2S2

>  <MolWeight> (234)
407.03548

>  <Cat> (234)
S5563

>  <Name> (234)
Thioridazine hydrochloride

>  <Synonyms> (234)
Aldazine, Mellaril

>  <Target> (234)
Others

>  <Form> (234)
hydrochloride 

>  <CAS> (234)
130-61-0

>  <URL> (234)
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894187-61-2

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

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147591-46-6

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http://www.selleckchem.com/products/id-8.html

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LGK-974

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N/A

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Wnt/beta-catenin

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Free Base

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1243244-14-5

>  <URL> (240)
http://www.selleckchem.com/products/lgk-974.html

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Wnt/beta-catenin

>  <Form> (241)
Free Base

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1427782-89-5

>  <URL> (241)
http://www.selleckchem.com/products/iwp-l6.html

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487021-52-3

>  <URL> (242)
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TGF-beta/Smad

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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> (244)
http://www.selleckchem.com/products/fli-06.html

$$$$
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LDN193189 HCl

>  <Synonyms> (245)
N/A

>  <Target> (245)
TGF-beta/Smad

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Hydrochloride

>  <CAS> (245)
1062368-62-0

>  <URL> (245)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
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676596-65-9

>  <URL> (246)
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http://www.selleckchem.com/products/im-12.html

$$$$
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2921

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C25H24N4O2

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Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (268)
GO 6850

>  <Target> (268)
PKC

>  <Form> (268)
Free Base

>  <CAS> (268)
133052-90-1

>  <URL> (268)
http://www.selleckchem.com/products/gf109203x.html

$$$$
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>  <Mol_ID> (269)
2929

>  <Formula> (269)
C20H28ClN7O3S

>  <MolWeight> (269)
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>  <Cat> (269)
S7634

>  <Name> (269)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (269)
N/A

>  <Target> (269)
JAK

>  <Form> (269)
Hydrochloride

>  <CAS> (269)
1369761-01-2

>  <URL> (269)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
SB225002.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (270)
2934

>  <Formula> (270)
C13H10BrN3O4

>  <MolWeight> (270)
352.1402

>  <Cat> (270)
S7651

>  <Name> (270)
SB225002

>  <Synonyms> (270)
N/A

>  <Target> (270)
CXCR

>  <Form> (270)
Free Base

>  <CAS> (270)
182498-32-4

>  <URL> (270)
http://www.selleckchem.com/products/sb225002.html

$$$$
Reversine.cdx
csChFnd80/01192109402D

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>  <Formula> (271)
C21H27N7O

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>  <Target> (271)
Adenosine Receptor

>  <Form> (271)
Free Base

>  <CAS> (271)
656820-32-5

>  <URL> (271)
http://www.selleckchem.com/products/reversine.html

$$$$
Piperlongumine.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (272)
2955

>  <Formula> (272)
C17H19NO5

>  <MolWeight> (272)
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>  <Cat> (272)
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>  <Name> (272)
Piperlongumine

>  <Synonyms> (272)
PPLGM

>  <Target> (272)
ROS,CRM

>  <Form> (272)
Free Base

>  <CAS> (272)
20069-09-4

>  <URL> (272)
http://www.selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/01192109402D

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1056901-62-2

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http://www.selleckchem.com/products/at13148.html

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955977-50-1

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http://www.selleckchem.com/products/pi-3065.html

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627536-09-8

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

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>  <Target> (285)
Others

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Free Base

>  <CAS> (285)
301836-43-1

>  <URL> (285)
http://www.selleckchem.com/products/d-4476.html

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csChFnd80/01192109402D

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3044

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C25H25ClN6O4S

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S7645

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Pilaralisib (XL147)

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N/A

>  <Target> (286)
PI3K

>  <Form> (286)
Free Base

>  <CAS> (286)
934526-89-3

>  <URL> (286)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
BVD-523.cdx
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>  <Formula> (287)
C21H22Cl2N4O2

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Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (287)
N/A

>  <Target> (287)
ERK

>  <Form> (287)
Free Base

>  <CAS> (287)
869886-67-9

>  <URL> (287)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

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csChFnd80/01192109402D

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>  <Formula> (288)
C24H25N5O

>  <MolWeight> (288)
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>  <Cat> (288)
S7840

>  <Name> (288)
Dorsomorphin (Compound C)

>  <Synonyms> (288)
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>  <Target> (288)
AMPK

>  <Form> (288)
Free Base

>  <CAS> (288)
866405-64-3

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

$$$$

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83280-65-3

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724741-75-7

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>  <Formula> (294)
C18H22N4O2

>  <MolWeight> (294)
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>  <Cat> (294)
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>  <Name> (294)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (294)
N/A

>  <Target> (294)
JAK

>  <Form> (294)
Free Base

>  <CAS> (294)
944118-01-8

>  <URL> (294)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
SW033291-1.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (295)
3093

>  <Formula> (295)
C21H20N2OS3

>  <MolWeight> (295)
412.5913

>  <Cat> (295)
S7900

>  <Name> (295)
SW033291

>  <Synonyms> (295)
N/A

>  <Target> (295)
Dehydrogenase

>  <Form> (295)
Free Base

>  <CAS> (295)
459147-39-8

>  <URL> (295)
http://www.selleckchem.com/products/sw033291.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (296)
3097

>  <Formula> (296)
C18H19F3N6O

>  <MolWeight> (296)
392.3782696

>  <Cat> (296)
S7541

>  <Name> (296)
Decernotinib (VX-509)

>  <Synonyms> (296)
N/A

>  <Target> (296)
JAK

>  <Form> (296)
Free Base

>  <CAS> (296)
944842-54-0

>  <URL> (296)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/01192109402D

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>  <Mol_ID> (297)
3098

>  <Formula> (297)
C24H20Cl2FN5O2

>  <MolWeight> (297)
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>  <Cat> (297)
S7709

>  <Name> (297)
VX-11e

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

>  <Target> (297)
ERK

>  <Form> (297)
Free Base

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

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

$$$$
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csChFnd80/01192109402D

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3102

>  <Formula> (298)
C13H14N6O

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270.28986

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S7646

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Voxtalisib (XL765, SAR245409)

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N/A

>  <Target> (298)
PI3K

>  <Form> (298)
Free Base

>  <CAS> (298)
934493-76-2

>  <URL> (298)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
NVP-TNKS656.cdx
csChFnd80/01192109402D

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3105

>  <Formula> (299)
C27H34N4O5

>  <MolWeight> (299)
494.58266

>  <Cat> (299)
S7238

>  <Name> (299)
NVP-TNKS656

>  <Synonyms> (299)
N/A

>  <Target> (299)
PARP

>  <Form> (299)
Free Base

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

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

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (300)
3110

>  <Formula> (300)
C15H23ClFN3O4S

>  <MolWeight> (300)
395.8772232

>  <Cat> (300)
S7995

>  <Name> (300)
Ripasudil (K-115)

>  <Synonyms> (300)
N/A

>  <Target> (300)
ROCK

>  <Form> (300)
Hydrochloride dihydrate

>  <CAS> (300)
887375-67-9

>  <URL> (300)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/01192109402D

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3121

>  <Formula> (301)
C26H24N6O2

>  <MolWeight> (301)
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>  <Cat> (301)
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>  <Name> (301)
KD025 (SLx-2119)

>  <Synonyms> (301)
N/A

>  <Target> (301)
ROCK

>  <Form> (301)
Free Base

>  <CAS> (301)
911417-87-3

>  <URL> (301)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/01192109402D

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3127

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C19H14O4

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STAT

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Free Base

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111540-00-2

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http://www.selleckchem.com/products/sta-21.html

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853220-52-7(free-base)

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71145-03-4

>  <URL> (304)
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1383716-33-3

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C16H11BrN2O

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Kenpaullone

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CDK

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Free Base

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142273-20-9

>  <URL> (307)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
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csChFnd80/01192109402D

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3149

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C19H27N5O6S

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453.51258

>  <Cat> (308)
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>  <Name> (308)
Oclacitinib maleate

>  <Synonyms> (308)
PF-03394197

>  <Target> (308)
JAK

>  <Form> (308)
Free Base

>  <CAS> (308)
1640292-55-2

>  <URL> (308)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
PIK-III.cdx
csChFnd80/01192109402D

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3162

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PIK-III

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VPS34-IN2

>  <Target> (309)
Autophagy

>  <Form> (309)
Free Base

>  <CAS> (309)
1383716-40-2

>  <URL> (309)
http://www.selleckchem.com/products/pik-iii.html

$$$$
SMER28.cdx
csChFnd80/01192109402D

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>  <CAS> (310)
307538-42-7

>  <URL> (310)
http://www.selleckchem.com/products/smer28.html

$$$$
ML264.cdx
csChFnd80/01192109402D

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3166

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C17H21ClN2O4S

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ML264

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CID-51003603

>  <Target> (311)
Others

>  <Form> (311)
Free Base

>  <CAS> (311)
1550008-55-3

>  <URL> (311)
http://www.selleckchem.com/products/ml264.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/01192109402D

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PI3K

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Free Base

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1254036-66-2

>  <URL> (316)
http://www.selleckchem.com/products/gsk2292767.html

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L755507

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Adrenergic Receptor

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Free Base

>  <CAS> (317)
159182-43-1

>  <URL> (317)
http://www.selleckchem.com/products/l755507.html

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IMR-1

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Gamma-secretase

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Free Base

>  <CAS> (318)
310456-65-6

>  <URL> (318)
http://www.selleckchem.com/products/imr-1.html

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Wnt/beta-catenin

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>  <CAS> (319)
331001-62-8

>  <URL> (319)
http://www.selleckchem.com/products/iq-1.html

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LY3023414

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GTPL8918

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Akt

>  <Form> (320)
Free Base

>  <CAS> (320)
1386874-06-1

>  <URL> (320)
http://www.selleckchem.com/products/ly3023414.html

$$$$
LY333531.cdx
csChFnd80/01192109402D

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C28H29ClN4O3

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>  <Name> (321)
LY333531 HCl

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Ruboxistaurin

>  <Target> (321)
PKC

>  <Form> (321)
hydrochloride

>  <CAS> (321)
169939-93-9

>  <URL> (321)
http://www.selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
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3260

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C28H28ClN3O3

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>  <Cat> (322)
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>  <Name> (322)
SIS3 HCl

>  <Synonyms> (322)
N/A

>  <Target> (322)
TGF-beta/Smad

>  <Form> (322)
hydrochloride

>  <CAS> (322)
521984-48-5

>  <URL> (322)
http://www.selleckchem.com/products/sis3.html

$$$$
MK-4101.cdx
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C24H24F5N5O

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>  <Synonyms> (323)
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Hedgehog/Smoothened

>  <Form> (323)
Free Base

>  <CAS> (323)
935273-79-3

>  <URL> (323)
http://www.selleckchem.com/products/mk-4101.html

$$$$
VO-Ohpic.cdx
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M  END
>  <Mol_ID> (324)
3262

>  <Formula> (324)
C12H15N2O11V

>  <MolWeight> (324)
414.1958

>  <Cat> (324)
S8174

>  <Name> (324)
VO-Ohpic trihydrate

>  <Synonyms> (324)
N/A

>  <Target> (324)
Others

>  <Form> (324)
trihydrate

>  <CAS> (324)
476310-60-8

>  <URL> (324)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
ATI-2341.cdx
csChFnd80/01192109402D

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N/A

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CXCR

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Free Base

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1337878-62-2

>  <URL> (325)
http://www.selleckchem.com/products/ati-2341.html

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KYA1797K

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N/A

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Wnt/beta-catenin

>  <Form> (326)
potassium salt

>  <CAS> (326)
1956356-56-1

>  <URL> (326)
http://www.selleckchem.com/products/kya1797k.html

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csChFnd80/01192109402D

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C22H31N9O3

>  <MolWeight> (327)
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AZD8835

>  <Synonyms> (327)
N/A

>  <Target> (327)
PI3K

>  <Form> (327)
Free Base

>  <CAS> (327)
1620576-64-8

>  <URL> (327)
http://www.selleckchem.com/products/azd8835.html

$$$$
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>  <Synonyms> (328)
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>  <Target> (328)
JAK

>  <Form> (328)
Free Base

>  <CAS> (328)
1271022-90-2

>  <URL> (328)
http://www.selleckchem.com/products/bms-911543.html

$$$$
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csChFnd80/01192109402D

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>  <Mol_ID> (329)
3286

>  <Formula> (329)
C23H22O6

>  <MolWeight> (329)
394.41718

>  <Cat> (329)
S8132

>  <Name> (329)
Deguelin

>  <Synonyms> (329)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (329)
Akt

>  <Form> (329)
Free Base

>  <CAS> (329)
522-17-8

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

$$$$
Alantolactone.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (330)
3299

>  <Formula> (330)
C15H20O2

>  <MolWeight> (330)
232.3181

>  <Cat> (330)
S8318

>  <Name> (330)
Alantolactone

>  <Synonyms> (330)
helenin, helenine, Eupatal

>  <Target> (330)
Others

>  <Form> (330)
Free Base

>  <CAS> (330)
546-43-0

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

$$$$
SKL2001.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (331)
3301

>  <Formula> (331)
C14H14N4O3

>  <MolWeight> (331)
286.28596

>  <Cat> (331)
S8320

>  <Name> (331)
SKL2001

>  <Synonyms> (331)
N/A

>  <Target> (331)
Wnt/beta-catenin

>  <Form> (331)
Free Base

>  <CAS> (331)
909089-13-0

>  <URL> (331)
http://www.selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (332)
3311

>  <Formula> (332)
C29H31ClN8O5

>  <MolWeight> (332)
607.06004

>  <Cat> (332)
S7687

>  <Name> (332)
GSK269962 HCl

>  <Synonyms> (332)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (332)
ROCK

>  <Form> (332)
hydrochloride

>  <CAS> (332)
850664-21-0(free base)

>  <URL> (332)
http://www.selleckchem.com/products/gsk269962.html

$$$$
GDC-0084.cdx
csChFnd80/01192109402D

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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (333)
3323

>  <Formula> (333)
C18H22N8O2

>  <MolWeight> (333)
382.41968

>  <Cat> (333)
S8163

>  <Name> (333)
GDC-0084

>  <Synonyms> (333)
N/A

>  <Target> (333)
PI3K

>  <Form> (333)
Free Base

>  <CAS> (333)
1382979-44-3

>  <URL> (333)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
ML-7.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (334)
3327

>  <Formula> (334)
C15H18ClIN2O2S

>  <MolWeight> (334)
452.73809

>  <Cat> (334)
S8388

>  <Name> (334)
ML-7 HCl

>  <Synonyms> (334)
N/A

>  <Target> (334)
Others

>  <Form> (334)
hydrochloride

>  <CAS> (334)
110448-33-4

>  <URL> (334)
http://www.selleckchem.com/products/ml-7.html

$$$$
XMU-MP-1.cdx
csChFnd80/01192109402D

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 28  9  1  0  0  0  0
M  END
>  <Mol_ID> (335)
3337

>  <Formula> (335)
C17H16N6O3S2

>  <MolWeight> (335)
416.47734

>  <Cat> (335)
S8334

>  <Name> (335)
XMU-MP-1

>  <Synonyms> (335)
N/A

>  <Target> (335)
Hippo pathway

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/01192109402D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (336)
3338

>  <Formula> (336)
C16H18Cl2N4O

>  <MolWeight> (336)
353.24632

>  <Cat> (336)
S7935

>  <Name> (336)
Y-39983 HCl

>  <Synonyms> (336)
Y-33075 HCl

>  <Target> (336)
ROCK

>  <Form> (336)
dihydrochloride

>  <CAS> (336)
173897-44-4

>  <URL> (336)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/01192109402D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (337)
3342

>  <Formula> (337)
C21H20N2O3S

>  <MolWeight> (337)
380.4601

>  <Cat> (337)
S8448

>  <Name> (337)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (337)
N/A

>  <Target> (337)
ROCK

>  <Form> (337)
Free Base

>  <CAS> (337)
557782-81-7

>  <URL> (337)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
GSK2269557.cdx
csChFnd80/01192109402D

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Nemiralisib

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PI3K

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Free Base

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1254036-71-9

>  <URL> (338)
http://www.selleckchem.com/products/gsk2269557.html

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Gamma-secretase

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Free Base

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1421438-81-4

>  <URL> (339)
http://www.selleckchem.com/products/ly3039478.html

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VPS34 inhibitor 1 (Compound 19, PIK-III anal

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N/A

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PI3K

>  <Form> (340)
Free Base

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1383716-46-8

>  <URL> (340)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

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STAT

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1456632-41-9

>  <URL> (343)
http://www.selleckchem.com/products/sh5-07.html

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CXCR

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HBr

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CP21R7 (CP21)

>  <Synonyms> (345)
N/A

>  <Target> (345)
Wnt/beta-catenin

>  <Form> (345)
Free Base

>  <CAS> (345)
125314-13-8

>  <URL> (345)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/01192109402D

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>  <Name> (346)
Atractylenolide I

>  <Synonyms> (346)
N/A

>  <Target> (346)
Immunology & Inflammation related

>  <Form> (346)
Free Base

>  <CAS> (346)
73069-13-3
73069-13-3

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

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/01192109402D

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>  <Mol_ID> (347)
3394

>  <Formula> (347)
C14H18ClN3O3RS

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343.82902

>  <Cat> (347)
S8208

>  <Name> (347)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (347)
N/A

>  <Target> (347)
ROCK

>  <Form> (347)
hydrochloride

>  <CAS> (347)
155558-32-0 (HCl salt)

>  <URL> (347)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
TGR-1202.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (348)
3399

>  <Formula> (348)
C31H24F3N5O3

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TGR-1202

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Rp-5264

>  <Target> (348)
PI3K

>  <Form> (348)
Free Base

>  <CAS> (348)
1532533-67-7

>  <URL> (348)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
LF3.cdx
csChFnd80/01192109402D

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3408

>  <Formula> (349)
C20H24N4O2S2

>  <MolWeight> (349)
416.56016

>  <Cat> (349)
S8474

>  <Name> (349)
LF3

>  <Synonyms> (349)
N/A

>  <Target> (349)
Wnt/beta-catenin

>  <Form> (349)
Free Base

>  <CAS> (349)
664969-54-4

>  <URL> (349)
http://www.selleckchem.com/products/lf3.html

$$$$
Troglitazone (CS-045).cdx
csChFnd80/01192109402D

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3410

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C24H27NO5S

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441.53988

>  <Cat> (350)
S8432

>  <Name> (350)
Troglitazone (CS-045)

>  <Synonyms> (350)
Rezulin, Romglizone, Prelay, CS-045, CS045, CS 045, Romozin

>  <Target> (350)
PPAR

>  <Form> (350)
Free Base

>  <CAS> (350)
97322-87-7

>  <URL> (350)
http://www.selleckchem.com/products/troglitazone-cs-045.html

$$$$
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>  <Mol_ID> (351)
3412

>  <Formula> (351)
C19H16FN5O2

>  <MolWeight> (351)
365.3610432

>  <Cat> (351)
S8489

>  <Name> (351)
GSK180736A

>  <Synonyms> (351)
N/A

>  <Target> (351)
ROCK

>  <Form> (351)
Free Base

>  <CAS> (351)
817194-38-0

>  <URL> (351)
http://www.selleckchem.com/products/gsk180736a.html

$$$$
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>  <Name> (352)
BIX 01294

>  <Synonyms> (352)
N/A

>  <Target> (352)
Histone Methyltransferase

>  <Form> (352)
trihydrochloride

>  <CAS> (352)
1392399-03-9

>  <URL> (352)
http://www.selleckchem.com/products/bix-01294.html

$$$$
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>  <Formula> (353)
C19H22N6O3

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GDC-0326

>  <Synonyms> (353)
N/A

>  <Target> (353)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

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free base

>  <CAS> (353)
1282514-88-8

>  <URL> (353)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
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N/A

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Nanog

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free base

>  <CAS> (354)
1129403-56-0

>  <URL> (354)
http://www.selleckchem.com/products/amcasertib-bbi503.html

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C19H17NO5S

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N/A

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DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

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free base

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1174428-47-7

>  <URL> (355)
http://www.selleckchem.com/products/sf2523.html

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N/A

>  <Target> (356)
PI3K¦Ã

>  <CAS> (356)
1693758-51-8

>  <URL> (356)
http://www.selleckchem.com/products/ipi-549.html

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PI3K¦Á 

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>  <CAS> (357)
1268454-23-4

>  <URL> (357)
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STAT3

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hydrochloride

>  <CAS> (358)
1420290-99-8

>  <URL> (358)
http://www.selleckchem.com/products/hjc0152.html

$$$$
Autophinib.cdx
csChFnd80/01192109402D

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>  <Name> (359)
Autophinib

>  <Synonyms> (359)
N/A

>  <Target> (359)
autophagy

>  <Form> (359)
free base

>  <CAS> (359)
1644443-47-9

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

$$$$
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csChFnd80/01192109402D

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LW 6

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N/A

>  <Target> (360)
HIF-1¦Á

>  <Form> (360)
free base

>  <CAS> (360)
934593-90-5

>  <URL> (360)
http://www.selleckchem.com/products/lw-6.html

$$$$
LY3214996.cdx
csChFnd80/01192109402D

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>  <Synonyms> (361)
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>  <Target> (361)
ERK1,ERK2

>  <Form> (361)
free base

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

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

$$$$
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C3H17Na2O11P

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¦Â-Glycerophosphate sodium salt hydrate

>  <Synonyms> (362)
N/A

>  <Target> (362)
phosphotase

>  <Form> (362)
sodium salt hydrate

>  <CAS> (362)
13408-09-8

>  <URL> (362)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

$$$$
Reparixin(Repertaxin).cdx
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C14H21NO3S

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S8640

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Reparixin (Repertaxin)

>  <Synonyms> (363)
N/A

>  <Target> (363)
CXCR1,CXCR2,CXCL8

>  <Form> (363)
free base

>  <CAS> (363)
266359-83-5

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

$$$$
LYN-1604.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (364)
3507

>  <Formula> (364)
C33H45Cl4N3O2

>  <MolWeight> (364)
657.5413

>  <Cat> (364)
S8597

>  <Name> (364)
LYN-1604

>  <Synonyms> (364)
N/A

>  <Target> (364)
ULK1

>  <Form> (364)
dihydrochloride

>  <CAS> (364)
2088939-99-3(free base)

>  <URL> (364)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
GNF-6231.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (365)
3508

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C24H25FN6O2

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448.4927032

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S8644

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GNF-6231

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N/A

>  <Target> (365)
Porcupine

>  <Form> (365)
free base

>  <CAS> (365)
1243245-18-2

>  <URL> (365)
http://www.selleckchem.com/products/gnf-6231.html

$$$$
iCRT3.cdx
csChFnd80/01192109402D

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iCRT3

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N/A

>  <Target> (366)
Wnt/¦Â-catenin

>  <Form> (366)
free base

>  <CAS> (366)
901751-47-1

>  <URL> (366)
http://www.selleckchem.com/products/icrt3.html

$$$$
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    8.4870   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 29  1  0  0  0  0
 25 34  1  0  0  0  0
M  END
>  <Mol_ID> (367)
3525

>  <Formula> (367)
C27H21NO5S

>  <MolWeight> (367)
471.52434

>  <Cat> (367)
S8605

>  <Name> (367)
C188-9

>  <Synonyms> (367)
N/A

>  <Target> (367)
STAT3

>  <Form> (367)
free base

>  <CAS> (367)
432001-19-9

>  <URL> (367)
http://www.selleckchem.com/products/c188-9.html

$$$$
S3852 L-Theanine.cdx
csChFnd80/01192109402D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (368)
3540

>  <Formula> (368)
C7H14N2O3

>  <MolWeight> (368)
174.19766

>  <Cat> (368)
S3852

>  <Name> (368)
L-Theanine

>  <Synonyms> (368)
N/A

>  <Target> (368)
Others

>  <Form> (368)
free base

>  <CAS> (368)
3081-61-6

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

$$$$
CA3.cdx
csChFnd80/01192109402D

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   11.3673    2.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5014    5.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 13  9  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
 11 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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  7 32  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (369)
3550

>  <Formula> (369)
C23H27N3O5S2

>  <MolWeight> (369)
489.60758

>  <Cat> (369)
S8661

>  <Name> (369)
CA3

>  <Synonyms> (369)
N/A

>  <Target> (369)
YAP/TEAD interaction

>  <Form> (369)
free base

>  <CAS> (369)
300802-28-2

>  <URL> (369)
http://www.selleckchem.com/products/ca3.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/01192109402D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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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
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  5 10  1  0  0  0  0
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 10 14  1  0  0  0  0
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 14 16  1  0  0  0  0
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M  END
>  <Mol_ID> (370)
3578

>  <Formula> (370)
C6H6Na3O9P

>  <MolWeight> (370)
322.049511

>  <Cat> (370)
S5115

>  <Name> (370)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (370)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (370)
Others

>  <Form> (370)
sodium salt

>  <CAS> (370)
66170-10-3

>  <URL> (370)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/01192109402D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (371)
3581

>  <Formula> (371)
C15H19N5O

>  <MolWeight> (371)
285.34426

>  <Cat> (371)
S8538

>  <Name> (371)
PF-06651600

>  <Synonyms> (371)
N/A

>  <Target> (371)
JAK3 

>  <Form> (371)
free base

>  <CAS> (371)
1792180-81-4

>  <URL> (371)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
NGP 555.cdx
csChFnd80/01192109402D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8205    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (372)
C23H23FN4S

>  <MolWeight> (372)
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>  <Cat> (372)
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>  <Name> (372)
NGP 555

>  <Synonyms> (372)
N/A

>  <Target> (372)
¦Ã-secretase

>  <Form> (372)
free base

>  <CAS> (372)
1304630-27-0

>  <URL> (372)
http://www.selleckchem.com/products/npg-555.html

$$$$
2-D08.cdx
csChFnd80/01192109402D

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3607

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C15H10O5

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S8696

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2-D08
2-D08

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2',3',4'-trihydroxy flavone

>  <Target> (373)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (373)
free base

>  <CAS> (373)
144707-18-6

>  <URL> (373)
http://selleckchem.com/products/2-d08.html

$$$$
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3640

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C26H20N6O

>  <MolWeight> (374)
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>  <Cat> (374)
S8645

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IWP-O1

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N/A

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Wnt/beta-catenin

>  <Form> (374)
free base

>  <CAS> (374)
2074607-48-8

>  <URL> (374)
http://selleckchem.com/products/iwp-O1.html

$$$$
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>  <Formula> (375)
C23H18FN5O2

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>  <Name> (375)
Tenalisib (RP6530)

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PI3K

>  <Form> (375)
free base

>  <CAS> (375)
1639417-53-0

>  <URL> (375)
http://selleckchem.com/products/tenalisib-rp6530.html

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    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> (376)
3685

>  <Formula> (376)
C20H20ClN5O2

>  <MolWeight> (376)
397.8581

>  <Cat> (376)
S8685

>  <Name> (376)
AS1517499

>  <Synonyms> (376)
N/A

>  <Target> (376)
STAT

>  <Form> (376)
free base

>  <CAS> (376)
919486-40-1

>  <URL> (376)
http://selleckchem.com/products/as1517499.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/01192109402D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    4.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4308    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    3.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9975    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2503    2.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6150    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9761    4.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7229    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6810    1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2887    1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6015    1.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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> (377)
3727

>  <Formula> (377)
C13H18N2O6

>  <MolWeight> (377)
298.29182

>  <Cat> (377)
S5060

>  <Name> (377)
 Metadoxine

>  <Synonyms> (377)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (377)
Others

>  <Form> (377)
salt

>  <CAS> (377)
74536-44-0

>  <URL> (377)
http://selleckchem.com/products/metadoxine.html

$$$$
bpV (HOpic).cdx
csChFnd80/01192109402D

 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
   16.2973    0.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.8603    0.0561    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.6374    1.5568    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.5711    0.8351    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7687    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    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> (378)
3821

>  <Formula> (378)
C6H4K2NO8V

>  <MolWeight> (378)
347.23596

>  <Cat> (378)
S8651

>  <Name> (378)
bpV (HOpic)

>  <Synonyms> (378)
Bisperoxovanadium(HOpic)

>  <Target> (378)
PTEN

>  <Form> (378)
potassium 

>  <CAS> (378)
722494-26-0

>  <URL> (378)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/01192109402D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (379)
3846

>  <Formula> (379)
C3H8NO6P

>  <MolWeight> (379)
185.072481

>  <Cat> (379)
S5137

>  <Name> (379)
O-Phospho-L-serine

>  <Synonyms> (379)
Dexfosfoserine

>  <Target> (379)
GluR

>  <Form> (379)
free base

>  <CAS> (379)
407-41-0

>  <URL> (379)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/01192109402D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (380)
3886

>  <Formula> (380)
C22H42O2

>  <MolWeight> (380)
338.56768

>  <Cat> (380)
S5383

>  <Name> (380)
Erucic acid

>  <Synonyms> (380)
cis-13-docosenoic acid

>  <Target> (380)
Others

>  <Form> (380)
free base

>  <CAS> (380)
112-86-7

>  <URL> (380)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/01192109402D

 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> (381)
3911

>  <Formula> (381)
C8H6BrN

>  <MolWeight> (381)
196.04394

>  <Cat> (381)
S5439

>  <Name> (381)
5-Bromoindole

>  <Synonyms> (381)
N/A

>  <Target> (381)
GSK-3

>  <Form> (381)
free base

>  <CAS> (381)
10075-50-0

>  <URL> (381)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/01192109402D

 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
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    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
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 15 14  1  1  0  0  0
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  8  7  1  1  0  0  0
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 31 36  1  0  0  0  0
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 19 17  1  0  0  0  0
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  2  3  1  0  0  0  0
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 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
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 23 24  1  0  0  0  0
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  5  6  1  0  0  0  0
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 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (382)
3919

>  <Formula> (382)
C42H68O13

>  <MolWeight> (382)
780.98152

>  <Cat> (382)
S5454

>  <Name> (382)
Saikosaponin D

>  <Synonyms> (382)
N/A

>  <Target> (382)
ATPase

>  <Form> (382)
free base

>  <CAS> (382)
20874-52-6

>  <URL> (382)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/01192109402D

 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
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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  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
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 21 18  1  1  0  0  0
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 29 32  1  6  0  0  0
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M  END
>  <Mol_ID> (383)
3922

>  <Formula> (383)
C22H26O11

>  <MolWeight> (383)
466.43524

>  <Cat> (383)
S5457

>  <Name> (383)
Curculigoside

>  <Synonyms> (383)
Curculigoside A

>  <Target> (383)
Immunology & Inflammation related

>  <Form> (383)
free base

>  <CAS> (383)
85643-19-2

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

$$$$
S5464 Psoralidin.cdx
csChFnd80/01192109402D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2618    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    4.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    4.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7210    3.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    2.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    3.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9821    5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2093    6.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 18  2  0  0  0  0
  8 10  1  0  0  0  0
 11  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (384)
3929

>  <Formula> (384)
C20H16O5

>  <MolWeight> (384)
336.33804

>  <Cat> (384)
S5464

>  <Name> (384)
Psoralidin

>  <Synonyms> (384)
N/A

>  <Target> (384)
Estrogen/progestogen Receptor

>  <Form> (384)
free base

>  <CAS> (384)
18642-23-4

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

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/01192109402D

 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
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    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
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    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (385)
3946

>  <Formula> (385)
C14H8O9

>  <MolWeight> (385)
320.20792

>  <Cat> (385)
S5516

>  <Name> (385)
Ellagic Acid hydrate

>  <Synonyms> (385)
N/A

>  <Target> (385)
Casein Kinase

>  <Form> (385)
monohydrate 

>  <CAS> (385)
 314041-08-2

>  <URL> (385)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5521 Eosin Y Disodium Trihydrate.cdx
csChFnd80/01192109402D

 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
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    9.4963    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7087    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (386)
3950

>  <Formula> (386)
C20H6Br4Na2O5

>  <MolWeight> (386)
691.85418

>  <Cat> (386)
S5521

>  <Name> (386)
Eosin Y Disodium

>  <Synonyms> (386)
N/A

>  <Target> (386)
Others

>  <Form> (386)
disodium salt

>  <CAS> (386)
17372-87-1

>  <URL> (386)
http://selleckchem.com/products/eosin-y-disodium.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (387)
3969

>  <Formula> (387)
C49H76O20

>  <MolWeight> (387)
985.11574

>  <Cat> (387)
S5554

>  <Name> (387)
Lanatoside C

>  <Synonyms> (387)
N/A

>  <Target> (387)
ATPase

>  <Form> (387)
free base

>  <CAS> (387)
17575-22-3

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

$$$$
S5588 Creatine.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (388)
3994

>  <Formula> (388)
C4H9N3O2

>  <MolWeight> (388)
131.13316

>  <Cat> (388)
S5588

>  <Name> (388)
Creatine

>  <Synonyms> (388)
Methylguanidoacetic acid

>  <Target> (388)
Others

>  <Form> (388)
free base

>  <CAS> (388)
57-00-1

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

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/01192109402D

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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (389)
4015

>  <Formula> (389)
C20H18O6

>  <MolWeight> (389)
354.35332

>  <Cat> (389)
S3934

>  <Name> (389)
Acetyl Resveratrol

>  <Synonyms> (389)
N/A

>  <Target> (389)
Sirt12

>  <Form> (389)
free base

>  <CAS> (389)
42206-94-0

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

$$$$
S5265 TBB.cdx
csChFnd80/01192109402D

 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    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
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 10  3  1  0  0  0  0
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  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (390)
4029

>  <Formula> (390)
C6HBr4N3

>  <MolWeight> (390)
434.70824

>  <Cat> (390)
S5265

>  <Name> (390)
TBB

>  <Synonyms> (390)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (390)
Casein Kinase

>  <CAS> (390)
17374-26-4

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

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/01192109402D

 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
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    2.4249    0.0000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (391)
4123

>  <Formula> (391)
C8H8O3

>  <MolWeight> (391)
152.14732

>  <Cat> (391)
S9374

>  <Name> (391)
2',5'-Dihydroxyacetophenone

>  <CAS> (391)
490-78-8

$$$$
S9416 Triptonide.cdx
csChFnd80/01192109402D

 27 33  0  0  0  0  0  0  0  0999 V2000
    3.4990    1.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    2.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9175    4.4920    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1224    3.7782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1511    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9267    5.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3557    5.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321    4.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7398    4.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7634    5.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5676    6.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5894    7.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7112    5.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9057    1.6898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7044    2.3816    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7061    0.9956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2849    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  7  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
 11 12  2  0  0  0  0
 16  1  1  0  0  0  0
  4 13  1  1  0  0  0
  1 23  1  0  0  0  0
  3 14  1  6  0  0  0
 20 23  1  0  0  0  0
  1 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 16 18  1  1  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  7  5  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 19 21  1  6  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  6  0  0  0
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 20  3  1  0  0  0  0
 22  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
 16 25  1  0  0  0  0
  9 10  1  0  0  0  0
 25 26  1  0  0  0  0
 10 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (392)
4149

>  <Formula> (392)
C20H22O6

>  <MolWeight> (392)
358.38508

>  <Cat> (392)
S9416

>  <Name> (392)
Triptonide

>  <Form> (392)
free base

>  <CAS> (392)
38647-11-9

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/01192109402D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.4156    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    4.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    4.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    6.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0535    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2659    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6908    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
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  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (393)
4163

>  <Formula> (393)
C22H34O3

>  <MolWeight> (393)
346.50356

>  <Cat> (393)
S9432

>  <Name> (393)
Ginkgolic Acid

>  <Form> (393)
free base

>  <CAS> (393)
22910-60-7

$$$$

csChFnd80/01192109402D

 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
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    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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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 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> (394)
4182

>  <Formula> (394)
C10H14N4O2

>  <MolWeight> (394)
222.24376

>  <Cat> (394)
S5836

>  <Name> (394)
IBMX

>  <Synonyms> (394)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (394)
PDE

>  <Form> (394)
Free Base

>  <CAS> (394)
28822-58-4

>  <URL> (394)
http://www.selleckchem.com/products/ibmx.html

$$$$

csChFnd80/01192109402D

 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
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    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
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  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (395)
4209

>  <Formula> (395)
C6H6Br6

>  <MolWeight> (395)
557.53584

>  <Cat> (395)
S5902

>  <Name> (395)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (395)
NSC7908

>  <Target> (395)
JAK

>  <Form> (395)
Free Base

>  <CAS> (395)
1837-91-8

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

$$$$

csChFnd80/01192109402D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (396)
4210

>  <Formula> (396)
C16H15N3O3

>  <MolWeight> (396)
297.3086

>  <Cat> (396)
S5903

>  <Name> (396)
JANEX-1

>  <Synonyms> (396)
WHI-P131

>  <Target> (396)
JAK

>  <Form> (396)
Free Base

>  <CAS> (396)
202475-60-3

>  <URL> (396)
http://www.selleckchem.com/products/janex-1.html

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csChFnd80/01192109402D

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M  END
>  <Mol_ID> (397)
4211

>  <Formula> (397)
C16H13Br2N3O3

>  <MolWeight> (397)
455.10072

>  <Cat> (397)
S5904

>  <Name> (397)
WHI-P97

>  <Synonyms> (397)
N/A

>  <Target> (397)
JAK

>  <Form> (397)
Free Base

>  <CAS> (397)
211555-05-4

>  <URL> (397)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/01192109402D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (398)
4220

>  <Formula> (398)
C15H12N2O

>  <MolWeight> (398)
236.26858

>  <Cat> (398)
S5915

>  <Name> (398)
OAC2

>  <Synonyms> (398)
N/A

>  <Target> (398)
Others

>  <Form> (398)
Free Base

>  <CAS> (398)
6019-39-2

>  <URL> (398)
http://www.selleckchem.com/products/oac2.html

$$$$

csChFnd80/01192109402D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (399)
4222

>  <Formula> (399)
C22H23N5O2

>  <MolWeight> (399)
389.45032

>  <Cat> (399)
S5917

>  <Name> (399)
Solcitinib

>  <Synonyms> (399)
GLPG0778, GSK2586184

>  <Target> (399)
JAK

>  <Form> (399)
Free Base

>  <CAS> (399)
1206163-45-2

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

$$$$

csChFnd80/01192109402D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (400)
4224

>  <Formula> (400)
C18H22ClN5S

>  <MolWeight> (400)
375.91878

>  <Cat> (400)
S5919

>  <Name> (400)
KHS101 hydrochloride

>  <Synonyms> (400)
N/A

>  <Target> (400)
Microtubule Associat

>  <Form> (400)
hydrochloride

>  <CAS> (400)
1784282-12-7

>  <URL> (400)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/01192109402D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (401)
4241

>  <Formula> (401)
C16H11Cl2FO2

>  <MolWeight> (401)
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>  <Cat> (401)
S7323

>  <Name> (401)
CHF 5074

>  <Synonyms> (401)
N/A

>  <Target> (401)
Gamma-secretase

>  <Form> (401)
Free Base

>  <CAS> (401)
749269-83-8

>  <URL> (401)
http://www.selleckchem.com/products/chf-5074.html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (402)
4247

>  <Formula> (402)
C23H14ClF3N6O

>  <MolWeight> (402)
482.8450696

>  <Cat> (402)
S8560

>  <Name> (402)
Seletalisib (UCB-5857)

>  <Synonyms> (402)
N/A

>  <Target> (402)
PI3K

>  <Form> (402)
Free Base

>  <CAS> (402)
1362850-20-1

>  <URL> (402)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (403)
4254

>  <Formula> (403)
C14H11ClN4S2

>  <MolWeight> (403)
334.84694

>  <Cat> (403)
S8700

>  <Name> (403)
TP0427736 HCl

>  <Synonyms> (403)
N/A

>  <Target> (403)
ALK

>  <Form> (403)
hydrochloride

>  <CAS> (403)
864374-00-5

>  <URL> (403)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/01192109402D

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>  <Mol_ID> (404)
4261

>  <Formula> (404)
C17H20F3N7O2

>  <MolWeight> (404)
411.3816096

>  <Cat> (404)
S8738

>  <Name> (404)
Bimiralisib (PQR309)

>  <Synonyms> (404)
N/A

>  <Target> (404)
PI3K

>  <Form> (404)
Free Base

>  <CAS> (404)
1225037-39-7

>  <URL> (404)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/01192109402D

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>  <Mol_ID> (405)
4267

>  <Formula> (405)
C21H25F3N6O2

>  <MolWeight> (405)
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>  <Cat> (405)
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>  <Name> (405)
leniolisib(CDZ 173)

>  <Synonyms> (405)
N/A

>  <Target> (405)
PI3K

>  <Form> (405)
Free Base

>  <CAS> (405)
1354690-24-6

>  <URL> (405)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (406)
4272

>  <Formula> (406)
C29H24FN7O

>  <MolWeight> (406)
505.5455632

>  <Cat> (406)
S8761

>  <Name> (406)
Adavivint (SM04690)

>  <Synonyms> (406)
N/A

>  <Target> (406)
Wnt/beta-catenin

>  <Form> (406)
Free Base

>  <CAS> (406)
1467093-03-3

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

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (407)
4282

>  <Formula> (407)
C29H39NO9

>  <MolWeight> (407)
545.62126

>  <Cat> (407)
S9015

>  <Name> (407)
Homoharringtonine

>  <CAS> (407)
26833-87-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (408)
4320

>  <Formula> (408)
C26H32O14

>  <MolWeight> (408)
568.52388

>  <Cat> (408)
S9075

>  <Name> (408)
Mulberroside A

>  <Form> (408)
free base

>  <CAS> (408)
102841-42-9

$$$$
S9100 Fraxinellone.cdx
csChFnd80/01192109402D

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M  END
>  <Mol_ID> (409)
4344

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csChFnd80/01192109402D

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Magnolin

>  <CAS> (410)
31008-18-1

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/01192109402D

 23 25  0  0  0  0  0  0  0  0999 V2000
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4353

>  <Formula> (411)
C16H12O7

>  <MolWeight> (411)
316.26228

>  <Cat> (411)
S9111

>  <Name> (411)
Isorhamnetin

>  <Form> (411)
free base

>  <CAS> (411)
480-19-3

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/01192109402D

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4412

>  <Formula> (412)
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>  <MolWeight> (412)
383.82492

>  <Cat> (412)
S9185

>  <Name> (412)
Nitidine Chloride

>  <Form> (412)
free base

>  <CAS> (412)
13063-04-2

$$$$
S9190 Oroxin B.cdx
csChFnd80/01192109402D

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>  <MolWeight> (413)
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>  <Cat> (413)
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>  <Name> (413)
Oroxin B

>  <Form> (413)
free base

>  <CAS> (413)
114482-86-9

$$$$

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4436

>  <Formula> (414)
C16H11N3O2

>  <MolWeight> (414)
277.27744

>  <Cat> (414)
S2009

>  <Name> (414)
Indirubin-3'-monoxime

>  <Synonyms> (414)
Indirubin-3'-oxime

>  <Target> (414)
CDK

>  <Form> (414)
Free Base

>  <CAS> (414)
160807-49-8

>  <URL> (414)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/01192109402D

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4476

>  <Formula> (415)
C19H21N3O2S

>  <MolWeight> (415)
355.45394

>  <Cat> (415)
S2070

>  <Name> (415)
ISCK03

>  <Synonyms> (415)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (415)
c-Kit

>  <Form> (415)
Free Base

>  <CAS> (415)
945526-43-2

>  <URL> (415)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/01192109402D

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>  <Mol_ID> (416)
4488

>  <Formula> (416)
C19H18O8

>  <MolWeight> (416)
374.34142

>  <Cat> (416)
S9288

>  <Name> (416)
Casticin

>  <Form> (416)
free base

>  <CAS> (416)
479-91-4

$$$$

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>  <Mol_ID> (417)
4707

>  <Formula> (417)
C13H21N5O

>  <MolWeight> (417)
263.33874

>  <Cat> (417)
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>  <Name> (417)
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>  <Synonyms> (417)
N/A

>  <Target> (417)
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>  <Form> (417)
Free Base

>  <CAS> (417)
85371-64-8

>  <URL> (417)
http://www.selleckchem.com/products/pinacidil.html

$$$$

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M  END
>  <Mol_ID> (418)
4725

>  <Formula> (418)
C29H37N7O5S

>  <MolWeight> (418)
595.71298

>  <Cat> (418)
S5078

>  <Name> (418)
Osimertinib mesylate

>  <Synonyms> (418)
AZD9291 mesylate

>  <Target> (418)
EGFR

>  <Form> (418)
mesylate

>  <CAS> (418)
1421373-66-1

>  <URL> (418)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (419)
4810

>  <Formula> (419)
C17H13N3O2

>  <MolWeight> (419)
291.30402

>  <Cat> (419)
S5772

>  <Name> (419)
AS-8351

>  <Synonyms> (419)
N/A

>  <Target> (419)
Histone Demethylase

>  <Form> (419)
Free Base

>  <CAS> (419)
796-42-9

>  <URL> (419)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/01192109402D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (420)
4822

>  <Formula> (420)
C16H17BrN2S

>  <MolWeight> (420)
349.28858

>  <Cat> (420)
S5791

>  <Name> (420)
Cyclic Pifithrin-¦Á hydrobromide 

>  <Synonyms> (420)
N/A

>  <Target> (420)
p53

>  <Form> (420)
hydrobromide 

>  <CAS> (420)
511296-88-1

>  <URL> (420)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/01192109402D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (421)
4840

>  <Formula> (421)
C18H19F3N2O4S2

>  <MolWeight> (421)
448.4796696

>  <Cat> (421)
S5815

>  <Name> (421)
WAY-316606

>  <Synonyms> (421)
N/A

>  <Target> (421)
Wnt/beta-catenin

>  <Form> (421)
Free Base

>  <CAS> (421)
915759-45-4

>  <URL> (421)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/01192109402D

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M  END
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4841

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C75H70N6O6

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>  <Cat> (422)
S5816

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>  <Synonyms> (422)
N/A

>  <Target> (422)
Anti-infection

>  <Form> (422)
Free Base

>  <CAS> (422)
3546-41-6

>  <URL> (422)
http://www.selleckchem.com/products/pyrvinium.html

$$$$

csChFnd80/01192109402D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (423)
4843

>  <Formula> (423)
C21H16FN7O

>  <MolWeight> (423)
401.3964432

>  <Cat> (423)
S5818

>  <Name> (423)
acalisib (GS-9820)

>  <Synonyms> (423)
CAL-120

>  <Target> (423)
PI3K

>  <Form> (423)
Free Base

>  <CAS> (423)
870281-34-8

>  <URL> (423)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/01192109402D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
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4858

>  <Formula> (424)
C24H29N5O3

>  <MolWeight> (424)
435.51876

>  <Cat> (424)
S8772

>  <Name> (424)
LY 3200882 

>  <Synonyms> (424)
N/A

>  <Target> (424)
TGF-beta/Smad

>  <Form> (424)
Free Base

>  <CAS> (424)
1898283-02-7

>  <URL> (424)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/01192109402D

 33 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (425)
4865

>  <Formula> (425)
C22H21F3N6O2

>  <MolWeight> (425)
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>  <Cat> (425)
S8801

>  <Name> (425)
CC-90003

>  <Synonyms> (425)
N/A

>  <Target> (425)
ERK

>  <Form> (425)
Free Base

>  <CAS> (425)
1621999-82-3

>  <URL> (425)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/01192109402D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
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2172879-52-4

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http://www.selleckchem.com/products/lit-927.html

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csChFnd80/01192109402D

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39011-92-2

>  <URL> (427)
http://www.selleckchem.com/products/nuzhenide.html

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csChFnd80/01192109402D

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free base

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1622902-68-4

>  <URL> (428)
http://www.selleck.cn/products/pf-04965842.html

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csChFnd80/01192109402D

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1883299-62-4

>  <URL> (429)
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    0.0000    1.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    4.2599    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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 25  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (430)
5269

>  <Formula> (430)
C23H21N5O3

>  <MolWeight> (430)
415.44454

>  <Cat> (430)
S2780

>  <Name> (430)
I-BET151 (GSK1210151A)

>  <Synonyms> (430)
N/A

>  <Target> (430)
Epigenetic Reader Do

>  <Form> (430)
Free Base

>  <CAS> (430)
1300031-49-5

>  <URL> (430)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/01192109402D

 21 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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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 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
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 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (431)
5271

>  <Formula> (431)
C13H8Cl2N2O4

>  <MolWeight> (431)
327.11962

>  <Cat> (431)
S3030

>  <Name> (431)
Niclosamide

>  <Synonyms> (431)
Niclocide

>  <Target> (431)
STAT

>  <Form> (431)
Free Base

>  <CAS> (431)
50-65-7

>  <URL> (431)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/01192109402D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   11.1717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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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    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
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 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> (432)
5314

>  <Formula> (432)
C23H26N6O2

>  <MolWeight> (432)
418.49154

>  <Cat> (432)
S6414

>  <Name> (432)
Apilimod

>  <Synonyms> (432)
STA-5326

>  <Target> (432)
PI3K

>  <Form> (432)
Free Base

>  <CAS> (432)
541550-19-0

>  <URL> (432)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/01192109402D

 26 28  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
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (433)
5379

>  <Formula> (433)
C19H18N4O3

>  <MolWeight> (433)
350.37122

>  <Cat> (433)
S8684

>  <Name> (433)
Selective JAK3 inhibitor 1

>  <Synonyms> (433)
N/A

>  <Target> (433)
JAK

>  <Form> (433)
Free Base

>  <CAS> (433)
1443235-95-7

>  <URL> (433)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/01192109402D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 22  7  2  0  0  0  0
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M  END
>  <Mol_ID> (434)
5380

>  <Formula> (434)
C23H20FN7O

>  <MolWeight> (434)
429.4496032

>  <Cat> (434)
S8693

>  <Name> (434)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (434)
N/A

>  <Target> (434)
PI3K

>  <Form> (434)
Free Base

>  <CAS> (434)
2088525-31-7

>  <URL> (434)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/01192109402D

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 37 40  1  0  0  0  0
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M  END
>  <Mol_ID> (435)
5381

>  <Formula> (435)
C37H41N9O3S

>  <MolWeight> (435)
691.84494

>  <Cat> (435)
S8701

>  <Name> (435)
MK-8353 (SCH900353)

>  <Synonyms> (435)
N/A

>  <Target> (435)
ERK

>  <Form> (435)
Free Base

>  <CAS> (435)
1184173-73-6

>  <URL> (435)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/01192109402D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (436)
6643

>  <Formula> (436)
C14H14ClFN8

>  <MolWeight> (436)
348.7659632

>  <Cat> (436)
S2162

>  <Name> (436)
AZD1480

>  <Synonyms> (436)
N/A

>  <Target> (436)
JAK

>  <Form> (436)
free base

>  <CAS> (436)
935666-88-9

>  <URL> (436)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/01192109402D

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  2  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 15 20  2  0  0  0  0
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  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (437)
6660

>  <Formula> (437)
C16H13ClN4

>  <MolWeight> (437)
296.75422

>  <Cat> (437)
S6499

>  <Name> (437)
PF-6260933

>  <Synonyms> (437)
N/A

>  <Target> (437)
Serine/threonin kina

>  <Form> (437)
free base

>  <CAS> (437)
1811510-56-1

>  <URL> (437)
http://www.selleck.cn/products/pf-6260933.html

$$$$

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333745-53-2

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http://www.selleck.cn/products/lx2343.html

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>  <Target> (439)
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free base

>  <CAS> (439)
1032754-81-6

>  <URL> (439)
http://www.selleck.cn/products/gne-477.html

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6678

>  <Formula> (440)
C16H15N3O2

>  <MolWeight> (440)
281.3092

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S6521

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>  <Synonyms> (440)
N/A

>  <Target> (440)
JAK

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free base

>  <CAS> (440)
21561-09-1

>  <URL> (440)
http://www.selleck.cn/products/whi-p258.html

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>  <Synonyms> (441)
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JAK

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free base

>  <CAS> (441)
195371-52-9

>  <URL> (441)
http://www.selleck.cn/products/nsc-42834.html

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6688

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>  <URL> (442)
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free base

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1454585-06-8

>  <URL> (444)
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N/A

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free base

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315703-52-7

>  <URL> (445)
http://www.selleck.cn/products/jk184.html

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1796596-46-7

>  <URL> (446)
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PI4K

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free base

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1513879-21-4

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http://www.selleck.cn/products/bqr695.html

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csChFnd80/01192109402D

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6707

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C22H18ClN5O2

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S6574

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KDU691

>  <Synonyms> (448)
N/A

>  <Target> (448)
PI4K

>  <Form> (448)
free base

>  <CAS> (448)
1513879-19-0

>  <URL> (448)
http://www.selleck.cn/products/kdu691.html

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C16H16F3N5

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335.3269496

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S6578

>  <Name> (449)
Longdaysin

>  <Synonyms> (449)
N/A

>  <Target> (449)
Casein Kinase

>  <Form> (449)
free base

>  <CAS> (449)
1353867-91-0

>  <URL> (449)
http://www.selleck.cn/products/longdaysin.html

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6728

>  <Formula> (450)
C21H17N3O2S

>  <MolWeight> (450)
375.44358

>  <Cat> (450)
S8704

>  <Name> (450)
iCRT14

>  <Synonyms> (450)
N/A

>  <Target> (450)
Wnt/beta-catenin

>  <Form> (450)
free base

>  <CAS> (450)
677331-12-3

>  <URL> (450)
http://www.selleck.cn/products/icrt14.html

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351.4388

>  <Cat> (451)
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>  <Name> (451)
AM580

>  <Synonyms> (451)
N/A

>  <Target> (451)
Retinoid Receptor

>  <Form> (451)
Free Base

>  <CAS> (451)
102121-60-8

>  <URL> (451)
http://www.selleck.cn/products/am580.html

$$$$

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>  <MolWeight> (452)
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>  <Synonyms> (452)
N/A

>  <Target> (452)
CDK

>  <Form> (452)
Free Base

>  <CAS> (452)
189232-42-6

>  <URL> (452)
http://www.selleck.cn/products/bohemine.html

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csChFnd80/01192109402D

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>  <Formula> (453)
C19H17N7O3

>  <MolWeight> (453)
391.38338

>  <Cat> (453)
S6616

>  <Name> (453)
ETC-159

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ETC-1922159

>  <Target> (453)
Wnt/beta-catenin

>  <Form> (453)
Free Base

>  <CAS> (453)
1638250-96-0

>  <URL> (453)
http://www.selleck.cn/products/etc-159.html

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csChFnd80/01192109402D

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>  <Formula> (454)
C16H16N6

>  <MolWeight> (454)
292.33844

>  <Cat> (454)
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>  <Name> (454)
MSX-122

>  <Synonyms> (454)
N/A

>  <Target> (454)
CXCR

>  <Form> (454)
Free Base

>  <CAS> (454)
897657-95-3

>  <URL> (454)
http://www.selleck.cn/products/msx-122.html

$$$$

csChFnd80/01192109402D

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>  <Mol_ID> (455)
6781

>  <Formula> (455)
C19H21ClFN3O4S

>  <MolWeight> (455)
441.9041432

>  <Cat> (455)
S6620

>  <Name> (455)
Danirixin (GSK1325756)

>  <Synonyms> (455)
N/A

>  <Target> (455)
CXCR

>  <Form> (455)
Free Base

>  <CAS> (455)
954126-98-8

>  <URL> (455)
http://www.selleck.cn/products/danirixin.html

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csChFnd80/01192109402D

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6792

>  <Formula> (456)
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>  <MolWeight> (456)
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>  <Cat> (456)
S6636

>  <Name> (456)
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>  <Synonyms> (456)
N/A

>  <Target> (456)
ROCK

>  <Form> (456)
Free Base

>  <CAS> (456)
867017-68-3

>  <URL> (456)
http://www.selleck.cn/products/azaindole-1.html

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1800070-77-2

>  <URL> (462)
http://www.selleck.cn/products/borussertib.html

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1315355-93-1

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1629138-41-5

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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 19  2  0  0  0  0
  1 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  6  0  0  0
 25 28  1  1  0  0  0
 24 29  1  6  0  0  0
 23 30  1  1  0  0  0
 30 31  1  0  0  0  0
 32 31  1  1  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
 36 37  1  0  0  0  0
 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
 34 41  1  6  0  0  0
 42 27  1  1  0  0  0
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 44 49  1  6  0  0  0
 47 50  1  6  0  0  0
 46 51  1  6  0  0  0
M  END
>  <Mol_ID> (469)
6923

>  <Formula> (469)
C33H40O18

>  <MolWeight> (469)
724.6599

>  <Cat> (469)
S9096

>  <Name> (469)
ligustroflavone

>  <Synonyms> (469)
Nuezhenoside

>  <Target> (469)
AMPK

>  <Form> (469)
Free Base

>  <CAS> (469)
260413-62-5

>  <URL> (469)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/01192109402D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   10.8793    0.1876    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
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (470)
6935

>  <Formula> (470)
C17H15NO3

>  <MolWeight> (470)
281.3059

>  <Cat> (470)
S2272

>  <Name> (470)
Indoprofen

>  <Synonyms> (470)
N/A

>  <Target> (470)
PDK

>  <Form> (470)
Free Base

>  <CAS> (470)
31842-01-0

>  <URL> (470)
http://www.selleck.cn/products/indoprofen.html

$$$$

csChFnd80/01192109402D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4116    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
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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
 11 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 16  1  0  0  0  0
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M  END
>  <Mol_ID> (471)
6970

>  <Formula> (471)
C16H19Cl2N3O4S

>  <MolWeight> (471)
420.31076

>  <Cat> (471)
S8900

>  <Name> (471)
SR18662 

>  <Synonyms> (471)
N/A

>  <Target> (471)
KLF

>  <Form> (471)
Free Base

>  <CAS> (471)
no cas

>  <URL> (471)
http://www.selleckchem.com/products/sr18662.html

$$$$

csChFnd80/01192109402D

 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
  4 13  1  0  0  0  0
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  6 23  2  0  0  0  0
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  9 22  2  0  0  0  0
 10 26  2  0  0  0  0
 11 26  1  0  0  0  0
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 13 21  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 24  1  0  0  0  0
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 23  7  1  0  0  0  0
M  END
>  <Mol_ID> (472)
6971

>  <Formula> (472)
C16H14Cl2N8O

>  <MolWeight> (472)
405.24136

>  <Cat> (472)
S8903

>  <Name> (472)
AS2863619

>  <Synonyms> (472)
N/A

>  <Target> (472)
CDK

>  <Form> (472)
Free Base

>  <CAS> (472)
2241300-51-4

>  <URL> (472)
http://www.selleckchem.com/products/as2863619.html

$$$$

csChFnd80/01192109402D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   13.3366    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (473)
http://www.selleckchem.com/products/sx-682.html

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csChFnd80/01192109402D

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N/A

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Hippo pathway

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Free Base

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2378626-29-8

>  <URL> (474)
http://www.selleckchem.com/products/ted-347.html

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csChFnd80/01192109402D

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6979

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C26H23N5O2

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S8961

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Alobresib (GS-5829)

>  <Synonyms> (475)
N/A

>  <Target> (475)
Epigenetic Reader Do

>  <Form> (475)
Free Base

>  <CAS> (475)
1637771-14-2

>  <URL> (475)
http://www.selleckchem.com/products/alobresib.html

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N/A

>  <Target> (476)
p38 MAPK

>  <Form> (476)
Free Base

>  <CAS> (476)
152121-53-4

>  <URL> (476)
http://www.selleckchem.com/products/pd-169316.html

$$$$

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7004

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STAT

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285986-31-4

>  <URL> (477)
http://www.selleckchem.com/products/stat-in-1.html

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csChFnd80/01192109402D

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>  <Mol_ID> (478)
7006

>  <Formula> (478)
C17H11BrFN3O2

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>  <Cat> (478)
S6786

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ERK5-IN-2

>  <Synonyms> (478)
N/A

>  <Target> (478)
ERK

>  <Form> (478)
Free Base

>  <CAS> (478)
1888305-96-1

>  <URL> (478)
http://www.selleckchem.com/products/erk5-in-2.html

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csChFnd80/01192109402D

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7017

>  <Formula> (479)
C20H13F2N3

>  <MolWeight> (479)
333.3341264

>  <Cat> (479)
S6807

>  <Name> (479)
TA-02

>  <Synonyms> (479)
N/A

>  <Target> (479)
p38 MAPK

>  <Form> (479)
Free Base

>  <CAS> (479)
1784751-19-4

>  <URL> (479)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/01192109402D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (480)
7059

>  <Formula> (480)
C26H34N6O3S

>  <MolWeight> (480)
510.65156

>  <Cat> (480)
S0391

>  <Name> (480)
TG-89

>  <Synonyms> (480)
N/A

>  <Target> (480)
JAK

>  <Form> (480)
Free Base

>  <CAS> (480)
936091-56-4

>  <URL> (480)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/01192109402D

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>  <Mol_ID> (481)
7069

>  <Formula> (481)
C14H10BrNOS

>  <MolWeight> (481)
320.2043

>  <Cat> (481)
S0523

>  <Name> (481)
SB?4

>  <Synonyms> (481)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (481)
TGF-beta/Smad

>  <Form> (481)
Free Base

>  <CAS> (481)
100874-08-6

>  <URL> (481)
http://www.selleckchem.com/products/sb-4.html

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csChFnd80/01192109402D

 12 11  0  0  0  0  0  0  0  0999 V2000
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7076

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C6H12N2S4

>  <MolWeight> (482)
240.43288

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S2431

>  <Name> (482)
Tetramethylthiuram disulfide

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Tetramethyl thiuram disulfide, Bis (dimethyldithiocarbamoyl) disulfide, Thiram, Thiuram

>  <Target> (482)
HIF

>  <Form> (482)
Free Base

>  <CAS> (482)
137-26-8

>  <URL> (482)
http://www.selleckchem.com/products/tetramethylthiuram-disulfide.html

$$$$

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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
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7101

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C25H19N5S

>  <MolWeight> (483)
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>  <Cat> (483)
S7692

>  <Name> (483)
A-83-01

>  <Synonyms> (483)
N/A

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ALK

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Free Base

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909910-43-6

>  <URL> (483)
http://www.selleckchem.com/products/a-83-01.html

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csChFnd80/01192109402D

 21 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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  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
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  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (484)
7143

>  <Formula> (484)
C13H11NO5S2

>  <MolWeight> (484)
325.36014

>  <Cat> (484)
S0225

>  <Name> (484)
IMR-1A

>  <Target> (484)
Notch

>  <Form> (484)
free base

>  <CAS> (484)
331862-41-0

>  <URL> (484)
http://www.selleckchem.com/products/imr-1a.html

$$$$

csChFnd80/01192109402D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   11.3638   11.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (485)
7145

>  <Formula> (485)
C21H19N3O3

>  <MolWeight> (485)
361.39386

>  <Cat> (485)
S0268

>  <Name> (485)
DMX-5084

>  <Target> (485)
MAP4K

>  <Form> (485)
free base

>  <CAS> (485)
2306178-56-1

>  <URL> (485)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/01192109402D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (486)
7167

>  <Formula> (486)
C14H10N4O3S

>  <MolWeight> (486)
314.3192

>  <Cat> (486)
S0458

>  <Name> (486)
KY1220

>  <Target> (486)
Wnt/beta-catenin

>  <Form> (486)
free base

>  <CAS> (486)
292168-79-7

>  <URL> (486)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/01192109402D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1 24  1  0  0  0  0
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M  END
>  <Mol_ID> (487)
7174

>  <Formula> (487)
C19H11ClN3NaO2

>  <MolWeight> (487)
371.75231

>  <Cat> (487)
S0707

>  <Name> (487)
Silmitasertib sodium salt

>  <Target> (487)
Casein Kinase

>  <Form> (487)
sodium

>  <CAS> (487)
1309357-15-0

>  <URL> (487)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/01192109402D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    2.1073    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7024    3.3167    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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   10.0844    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5092    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9341    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
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  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 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> (488)
7179

>  <Formula> (488)
C23H40N2O3

>  <MolWeight> (488)
392.5753

>  <Cat> (488)
S0752

>  <Name> (488)
AUDA

>  <Target> (488)
Epoxide Hydrolase

>  <Form> (488)
free base

>  <CAS> (488)
479413-70-2

>  <URL> (488)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/01192109402D

 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
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   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
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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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  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
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 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 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> (489)
7185

>  <Formula> (489)
C28H29NO6

>  <MolWeight> (489)
475.53296

>  <Cat> (489)
S0818

>  <Name> (489)
STAT3-IN-1

>  <Target> (489)
STAT

>  <Form> (489)
free base

>  <CAS> (489)
2059952-75-7

>  <URL> (489)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/01192109402D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   12.2266    8.0825    0.0000 C   0  0  0  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
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  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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 17 12  1  0  0  0  0
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 14 20  2  0  0  0  0
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  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
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 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
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 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (490)
7191

>  <Formula> (490)
C30H48O7

>  <MolWeight> (490)
520.69792

>  <Cat> (490)
S0949

>  <Name> (490)
Cucurbitacin IIb

>  <Target> (490)
STAT

>  <Form> (490)
free base

>  <CAS> (490)
50298-90-3

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

$$$$

csChFnd80/01192109402D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (491)
7209

>  <Formula> (491)
C7H7NO2

>  <MolWeight> (491)
137.13598

>  <Cat> (491)
S3220

>  <Name> (491)
Trigonelline

>  <Target> (491)
Phospholipase (e.g. 

>  <Form> (491)
free base

>  <CAS> (491)
535-83-1

>  <URL> (491)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/01192109402D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  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
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  8 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (492)
7211

>  <Formula> (492)
C7H14O6

>  <MolWeight> (492)
194.18246

>  <Cat> (492)
S3223

>  <Name> (492)
L-Quebrachitol

>  <Target> (492)
TGF-beta/Smad

>  <Form> (492)
free base

>  <CAS> (492)
642-38-6

>  <URL> (492)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/01192109402D

 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
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    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
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   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
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  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
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 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
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 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> (493)
7212

>  <Formula> (493)
C26H34O6

>  <MolWeight> (493)
442.54456

>  <Cat> (493)
S3224

>  <Name> (493)
Cinobufagin

>  <Target> (493)
ATM/ATR

>  <Form> (493)
free base

>  <CAS> (493)
470-37-1

>  <URL> (493)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/01192109402D

 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
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    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    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
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 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> (494)
7220

>  <Formula> (494)
C24H32O4

>  <MolWeight> (494)
384.50848

>  <Cat> (494)
S3238

>  <Name> (494)
Resibufogenin

>  <Target> (494)
RIP kinase

>  <Form> (494)
free base

>  <CAS> (494)
465-39-4

>  <URL> (494)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/01192109402D

 37 39  0  0  0  0  0  0  0  0999 V2000
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   12.2725    7.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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
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 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> (495)
7221

>  <Formula> (495)
C29H42Cl2N2O4

>  <MolWeight> (495)
553.56078

>  <Cat> (495)
S3239

>  <Name> (495)
Emetine Dihydrochloride

>  <Target> (495)
HIF

>  <Form> (495)
Dihydrochloride

>  <CAS> (495)
316-42-7

>  <URL> (495)
http://www.selleckchem.com/products/emetine-dihydrochloride.html

$$$$

csChFnd80/01192109402D

 21 22  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
  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> (496)
7223

>  <Formula> (496)
C17H18O4

>  <MolWeight> (496)
286.32242

>  <Cat> (496)
S3241

>  <Name> (496)
Loureirin A

>  <Target> (496)
Akt

>  <Form> (496)
free base

>  <CAS> (496)
119425-89-7

>  <URL> (496)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/01192109402D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 13 14  2  0  0  0  0
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 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> (497)
7224

>  <Formula> (497)
C18H20O5

>  <MolWeight> (497)
316.3484

>  <Cat> (497)
S3242

>  <Name> (497)
Loureirin B

>  <Target> (497)
PAI-1

>  <Form> (497)
free base

>  <CAS> (497)
119425-90-0

>  <URL> (497)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/01192109402D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    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
  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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 13 14  1  0  0  0  0
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 17 18  2  0  0  0  0
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 25 26  2  0  0  0  0
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 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
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 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 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
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 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (498)
7245

>  <Formula> (498)
C27H30O15

>  <MolWeight> (498)
594.5181

>  <Cat> (498)
S3267

>  <Name> (498)
Kaempferol-3-O-rutinoside

>  <Target> (498)
Apoptosis related

>  <Form> (498)
free base

>  <CAS> (498)
17650-84-9

>  <URL> (498)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/01192109402D

 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
  6  3  1  1  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (499)
7252

>  <Formula> (499)
C12H16O4

>  <MolWeight> (499)
224.25304

>  <Cat> (499)
S3275

>  <Name> (499)
Senkyunolide I

>  <Target> (499)
ERK

>  <Form> (499)
free base

>  <CAS> (499)
94596-28-8

>  <URL> (499)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/01192109402D

 39 42  0  0  0  0  0  0  0  0999 V2000
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    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
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  5  9  1  1  0  0  0
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 10 11  2  0  0  0  0
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 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  6  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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 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> (500)
7260

>  <Formula> (500)
C27H34O12

>  <MolWeight> (500)
550.55166

>  <Cat> (500)
S3284

>  <Name> (500)
Tracheloside

>  <Target> (500)
phosphatase

>  <Form> (500)
free base

>  <CAS> (500)
33464-71-0

>  <URL> (500)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/01192109402D

 19 18  0  0  0  0  0  0  0  0999 V2000
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   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (501)
7266

>  <Formula> (501)
C17H24O2

>  <MolWeight> (501)
260.37126

>  <Cat> (501)
S3292

>  <Name> (501)
Falcarindiol

>  <Target> (501)
NOS

>  <Form> (501)
free base

>  <CAS> (501)
225110-25-8

>  <URL> (501)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/01192109402D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (502)
7268

>  <Formula> (502)
C16H17NO3

>  <MolWeight> (502)
271.31108

>  <Cat> (502)
S3294

>  <Name> (502)
Demethyl-Coclaurine

>  <Target> (502)
Adrenergic Receptor

>  <Form> (502)
free base

>  <CAS> (502)
5843-65-2

>  <URL> (502)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/01192109402D

 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
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    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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> (503)
7270

>  <Formula> (503)
C16H12O6

>  <MolWeight> (503)
300.26288

>  <Cat> (503)
S3296

>  <Name> (503)
Hispidulin

>  <Target> (503)
Pim

>  <Form> (503)
free base

>  <CAS> (503)
1447-88-7

>  <URL> (503)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/01192109402D

 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
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    3.6373    8.4000    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
  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
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  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (504)
7290

>  <Formula> (504)
C27H33ClN2O4

>  <MolWeight> (504)
485.01492

>  <Cat> (504)
S6760

>  <Name> (504)
LM22B-10

>  <Target> (504)
Trk receptor

>  <Form> (504)
free base

>  <CAS> (504)
342777-54-2

>  <URL> (504)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01192109402D

 29 30  0  0  0  0  0  0  0  0999 V2000
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   12.1282    4.2063    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2 16  1  0  0  0  0
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  3 15  2  0  0  0  0
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  5  9  1  0  0  0  0
 10  5  1  0  0  0  0
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  8  7  1  1  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
>  <Mol_ID> (505)
7326

>  <Formula> (505)
C22H26N2O4

>  <MolWeight> (505)
382.45284

>  <Cat> (505)
S7394

>  <Name> (505)
MDL-28170

>  <Target> (505)
Cysteine Protease

>  <Form> (505)
free base

>  <CAS> (505)
88191-84-8

>  <URL> (505)
http://www.selleckchem.com/products/mdl-28170.html

$$$$

csChFnd80/01192109402D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (506)
7358

>  <Formula> (506)
C22H13FN2O5

>  <MolWeight> (506)
404.3474232

>  <Cat> (506)
S9602

>  <Name> (506)
9-ing-41

>  <Target> (506)
GSK-3

>  <Form> (506)
free base

>  <CAS> (506)
1034895-42-5

>  <URL> (506)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (507)
7373

>  <Formula> (507)
C97H144FN33O19S2

>  <MolWeight> (507)
2159.5193632

>  <Cat> (507)
S9665

>  <Name> (507)
Motixafortide (BL-8040)

>  <Target> (507)
CXCR

>  <Form> (507)
free base

>  <CAS> (507)
664334-36-5

>  <URL> (507)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/01192109402D

 35 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (508)
7377

>  <Formula> (508)
C28H26N4O3

>  <MolWeight> (508)
466.53104

>  <Cat> (508)
S1421

>  <Name> (508)
Staurosporine

>  <Synonyms> (508)
CGP 41251

>  <Target> (508)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (508)
Free Base

>  <CAS> (508)
62996-74-1

>  <URL> (508)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (509)
7403

>  <Formula> (509)
C21H18N2O

>  <MolWeight> (509)
314.38042

>  <Cat> (509)
S0765

>  <Name> (509)
MAZ51

>  <Synonyms> (509)
N/A

>  <Target> (509)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (509)
Free Base

>  <CAS> (509)
163655-37-6

>  <URL> (509)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/01192109402D

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 36 34  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 36  1  0  0  0  0
 38 42  1  1  0  0  0
 40 43  1  1  0  0  0
 41 44  1  6  0  0  0
 39 45  1  6  0  0  0
 42 46  1  0  0  0  0
 15 47  1  6  0  0  0
 48 44  1  1  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 48  1  0  0  0  0
 50 54  1  1  0  0  0
 52 55  1  1  0  0  0
 51 56  1  6  0  0  0
 53 57  1  6  0  0  0
 54 58  1  0  0  0  0
M  END
>  <Mol_ID> (510)
7427

>  <Formula> (510)
C42H70O12

>  <MolWeight> (510)
766.998

>  <Cat> (510)
S9210

>  <Name> (510)
Ginsenoside Rk1

>  <Synonyms> (510)
N/A

>  <Target> (510)
others

>  <Form> (510)
Free Base

>  <CAS> (510)
494753-69-4

>  <URL> (510)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/01192109402D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  6  0  0  0
  9 10  2  0  0  0  0
  7 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19  1  1  1  0  0  0
 19  4  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 19 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 26  2  0  0  0  0
 19 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  2  0  0  0  0
 28 21  1  0  0  0  0
  4 29  1  6  0  0  0
M  END
>  <Mol_ID> (511)
7445

>  <Formula> (511)
C22H26N2O4

>  <MolWeight> (511)
382.45284

>  <Cat> (511)
S9306

>  <Name> (511)
Corynoxeine

>  <Synonyms> (511)
N/A

>  <Target> (511)
ERK

>  <Form> (511)
Free Base

>  <CAS> (511)
630-94-4

>  <URL> (511)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/01192109402D

 23 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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (512)
7480

>  <Formula> (512)
C16H15FN2O4

>  <MolWeight> (512)
318.2997032

>  <Cat> (512)
S0153

>  <Name> (512)
SJ000291942

>  <Synonyms> (512)
N/A

>  <Target> (512)
TGF-beta/Smad

>  <Form> (512)
Free Base

>  <CAS> (512)
425613-09-8

>  <URL> (512)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/01192109402D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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  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> (513)
7503

>  <Formula> (513)
C16H11N3O3

>  <MolWeight> (513)
293.27684

>  <Cat> (513)
S0354

>  <Name> (513)
Alsterpaullone

>  <Synonyms> (513)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (513)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (513)
Free Base

>  <CAS> (513)
237430-03-4

>  <URL> (513)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/01192109402D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    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
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    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (514)
7507

>  <Formula> (514)
C17H14Cl2N6O

>  <MolWeight> (514)
389.23866

>  <Cat> (514)
S0384

>  <Name> (514)
RO495

>  <Synonyms> (514)
CS-2667

>  <Target> (514)
JAK

>  <Form> (514)
Free Base

>  <CAS> (514)
1258296-60-4

>  <URL> (514)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/01192109402D

 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
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    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
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  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> (515)
7513

>  <Formula> (515)
C15H12Cl2N4O

>  <MolWeight> (515)
335.18798

>  <Cat> (515)
S0454

>  <Name> (515)
Adjudin

>  <Synonyms> (515)
AF-2364

>  <Target> (515)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (515)
Free Base

>  <CAS> (515)
252025-52-8

>  <URL> (515)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/01192109402D

 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
    4.5808    4.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.8370    3.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.5517    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (516)
7541

>  <Formula> (516)
C18H13F2NO3

>  <MolWeight> (516)
329.2975264

>  <Cat> (516)
S0881

>  <Name> (516)
Mitochonic acid 5

>  <Synonyms> (516)
MA-5

>  <Target> (516)
Mitophagy. MAPK. ERK. Yap

>  <Form> (516)
Free Base

>  <CAS> (516)
1354707-41-7

>  <URL> (516)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/01192109402D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    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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    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   10.7723   11.1116    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
  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
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 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (517)
7554

>  <Formula> (517)
C29H30O13

>  <MolWeight> (517)
586.5407

>  <Cat> (517)
S1273

>  <Name> (517)
Amarogentin

>  <Synonyms> (517)
AG

>  <Target> (517)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (517)
Free Base

>  <CAS> (517)
21018-84-8

>  <URL> (517)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01192109402D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    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> (518)
7556

>  <Formula> (518)
C13H8O3

>  <MolWeight> (518)
212.20082

>  <Cat> (518)
S1321

>  <Name> (518)
Urolithin B

>  <Synonyms> (518)
N/A

>  <Target> (518)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (518)
Free Base

>  <CAS> (518)
1139-83-9

>  <URL> (518)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/01192109402D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  2 26  1  0  0  0  0
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  4 25  1  0  0  0  0
  4 29  1  0  0  0  0
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  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  2  0  0  0  0
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 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 21  1  0  0  0  0
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 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
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 20 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (519)
7565

>  <Formula> (519)
C21H16F3N3O2

>  <MolWeight> (519)
399.3658496

>  <Cat> (519)
S2962

>  <Name> (519)
NP-G2-044

>  <Synonyms> (519)
N/A

>  <Target> (519)
Fascin

>  <Form> (519)
Free Base

>  <CAS> (519)
1807454-59-6

>  <URL> (519)
https://www.selleckchem.com/products/np-g2-044.html

$$$$

csChFnd80/01192109402D

 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
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    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (520)
7566

>  <Formula> (520)
C13H17Cl2N3O2S

>  <MolWeight> (520)
350.26398

>  <Cat> (520)
S2964

>  <Name> (520)
HA-100 dihydrochloride

>  <Synonyms> (520)
N/A

>  <Target> (520)
PKG, PKA, PKC, MLCK

>  <Form> (520)
Dihydrochlori

>  <CAS> (520)
210297-47-5

>  <URL> (520)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/01192109402D

  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> (521)
7619

>  <Formula> (521)
C3H4O3

>  <MolWeight> (521)
88.06206

>  <Cat> (521)
S3143

>  <Name> (521)
Pyruvic acid

>  <Synonyms> (521)
Acetylformic acid

>  <Target> (521)
LDH. Casein Kinase. ATPase.

>  <Form> (521)
Free Base

>  <CAS> (521)
127-17-3

>  <URL> (521)
https://www.selleckchem.com/products/pyruvic-acid.html

$$$$

csChFnd80/01192109402D

 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> (522)
7673

>  <Formula> (522)
C7H7NO3

>  <MolWeight> (522)
153.13538

>  <Cat> (522)
S3355

>  <Name> (522)
3-Hydroxyanthranilic acid

>  <Synonyms> (522)
3-HAA, 3-HANA

>  <Target> (522)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (522)
Free Base

>  <CAS> (522)
548-93-6

>  <URL> (522)
https://www.selleckchem.com/products/3-hydroxyanthranilic-acid.html

$$$$

csChFnd80/01192109402D

 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
    3.6229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    4.6326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (523)
7691

>  <Formula> (523)
C17H20N6O2S

>  <MolWeight> (523)
372.4447

>  <Cat> (523)
S6517

>  <Name> (523)
GNE-493

>  <Synonyms> (523)
N/A

>  <Target> (523)
PI3K. mTOR.

>  <Form> (523)
Free Base

>  <CAS> (523)
1033735-94-2

>  <URL> (523)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/01192109402D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4248    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.5123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.2123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (524)
7695

>  <Formula> (524)
C15H15NO4S

>  <MolWeight> (524)
305.3489

>  <Cat> (524)
S6901

>  <Name> (524)
MSAB

>  <Synonyms> (524)
N/A

>  <Target> (524)
Wnt/beta-catenin

>  <Form> (524)
Free Base

>  <CAS> (524)
173436-66-3

>  <URL> (524)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/01192109402D

 27 29  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 C   0  0  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    5.5903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 F   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
    3.6331    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.7878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    3.4951    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
  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> (525)
7699

>  <Formula> (525)
C21H19F2NO3

>  <MolWeight> (525)
371.3772664

>  <Cat> (525)
S6920

>  <Name> (525)
SEA0400

>  <Synonyms> (525)
N/A

>  <Target> (525)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (525)
Free Base

>  <CAS> (525)
223104-29-8

>  <URL> (525)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/01192109402D

 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
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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
    4.8497    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    5.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
 18 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 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> (526)
7713

>  <Formula> (526)
C22H14FN5

>  <MolWeight> (526)
367.3784632

>  <Cat> (526)
S6963

>  <Name> (526)
APTO-253

>  <Synonyms> (526)
LOR-253, LT-253

>  <Target> (526)
c-Myc. KLF. Apoptosis related

>  <Form> (526)
Free Base

>  <CAS> (526)
916151-99-0

>  <URL> (526)
https://www.selleckchem.com/products/apto-253.html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (527)
7728

>  <Formula> (527)
C119H206N32O35

>  <MolWeight> (527)
2645.10234

>  <Cat> (527)
S9664

>  <Name> (527)
Colivelin

>  <Synonyms> (527)
CLN

>  <Target> (527)
STAT. Beta Amyloid.

>  <Form> (527)
Free Base

>  <CAS> (527)
867021-83-8

>  <URL> (527)
https://www.selleckchem.com/products/colivelin.html

$$$$

csChFnd80/01192109402D

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M  END
>  <Mol_ID> (528)
7738

>  <Formula> (528)
C29H36F3N3O8S

>  <MolWeight> (528)
643.6716496

>  <Cat> (528)
S9698

>  <Name> (528)
Ezatiostat

>  <Synonyms> (528)
TER199, TLK199, Telintra

>  <Target> (528)
Transferase. JNK. ERK. Apoptosis related

>  <Form> (528)
Free Base

>  <CAS> (528)
168682-53-9

>  <URL> (528)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

csChFnd80/01192109402D

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 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (529)
7743

>  <Formula> (529)
C19H32N4O11

>  <MolWeight> (529)
492.47758

>  <Cat> (529)
S9709

>  <Name> (529)
Muramyl dipeptide

>  <Synonyms> (529)
MDP

>  <Target> (529)
RUNX

>  <Form> (529)
Free Base

>  <CAS> (529)
53678-77-6

>  <URL> (529)
https://www.selleckchem.com/products/muramyl-dipeptide.html

$$$$

csChFnd80/01192109402D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4927    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
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0927    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
    0.0000    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    1.3951    0.0000 N   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
  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> (530)
7747

>  <Formula> (530)
C15H18N2O

>  <MolWeight> (530)
242.31622

>  <Cat> (530)
S9719

>  <Name> (530)
CB-103

>  <Synonyms> (530)
N/A

>  <Target> (530)
Notch

>  <Form> (530)
Free Base

>  <CAS> (530)
218457-67-1

>  <URL> (530)
https://www.selleckchem.com/products/cb-103.html

$$$$
