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>  <Mol_ID> (1)
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Src

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380843-75-4

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

$$$$
Y-27632 2HCL.cdx
csChFnd80/12292111042D

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C14H23Cl2N3O

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Y-27632 2HCl

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N/A

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ROCK

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Dihydrochloride

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129830-38-2

>  <URL> (2)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/12292111042D

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42

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C22H16N4O3

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N/A

>  <Target> (3)
TGF-beta/Smad

>  <Form> (3)
Free Base

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301836-41-9

>  <URL> (3)
http://www.selleckchem.com/products/SB-431542.html

$$$$
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280744-09-4

>  <URL> (4)
http://www.selleckchem.com/products/SB-216763.html

$$$$
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879085-55-9

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PI3K 

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Free Base

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154447-36-6

>  <URL> (7)
http://www.selleckchem.com/products/LY294002.html

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Bcr-Abl, JAK, Aurora Kinase

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896466-04-9

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STAT

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284028-89-3

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Gamma-secretase

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1146699-66-2

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (14)
215

>  <Formula> (14)
C22H29FO5

>  <MolWeight> (14)
392.4610632

>  <Cat> (14)
S1322

>  <Name> (14)
Dexamethasone

>  <Synonyms> (14)
Decadron

>  <Target> (14)
IL Receptor

>  <Form> (14)
Free Base

>  <CAS> (14)
18296

>  <URL> (14)
http://www.selleckchem.com/products/Dexamethasone.html

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (15)
221

>  <Formula> (15)
C17H19ClF3NO

>  <MolWeight> (15)
345.7870696

>  <Cat> (15)
S1333

>  <Name> (15)
Fluoxetine  HCl

>  <Synonyms> (15)
Prozac, Sarafem

>  <Target> (15)
5-HT Receptor

>  <Form> (15)
Hydrochloride

>  <CAS> (15)
56296-78-7

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

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (16)
235

>  <Formula> (16)
C22H19Cl3N8

>  <MolWeight> (16)
501.79886

>  <Cat> (16)
S2924

>  <Name> (16)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (16)
N/A

>  <Target> (16)
PI3K/Akt/mTOR

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
252917-06-9 (free base)

>  <URL> (16)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
resveratrol.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (17)
251

>  <Formula> (17)
C14H12O3

>  <MolWeight> (17)
228.24328

>  <Cat> (17)
S1396

>  <Name> (17)
Resveratrol

>  <Synonyms> (17)
N/A

>  <Target> (17)
Sirtuin

>  <Form> (17)
Free Base

>  <CAS> (17)
501-36-0

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

$$$$
Thiazovivin.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (18)
285

>  <Formula> (18)
C15H13N5OS

>  <MolWeight> (18)
311.36162

>  <Cat> (18)
S1459

>  <Name> (18)
Thiazovivin

>  <Synonyms> (18)
N/A

>  <Target> (18)
ROCK

>  <Form> (18)
Free Base

>  <CAS> (18)
1226056-71-8

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

$$$$
sp600125.cdx
csChFnd80/12292111042D

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864082-47-3

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TGF-beta/Smad

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356559-20-1

>  <URL> (21)
http://www.selleckchem.com/products/SB-525334.html

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21679-14-1

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844442-38-2

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 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (24)
352

>  <Formula> (24)
C14H18ClN3O2S

>  <MolWeight> (24)
327.82962

>  <Cat> (24)
S1573

>  <Name> (24)
Fasudil HCl (HA-1077)

>  <Synonyms> (24)
AT-877 

>  <Target> (24)
ROCK

>  <Form> (24)
Hydrochloride

>  <CAS> (24)
105628-07-7

>  <URL> (24)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
Semagacestat.cdx
csChFnd80/12292111042D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (25)
358

>  <Formula> (25)
C19H27N3O4

>  <MolWeight> (25)
361.43538

>  <Cat> (25)
S1594

>  <Name> (25)
Semagacestat (LY450139)

>  <Synonyms> (25)
LY-450139, LY450139

>  <Target> (25)
Gamma-secretase

>  <Form> (25)
Free Base

>  <CAS> (25)
425386-60-3

>  <URL> (25)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/12292111042D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (26)
360

>  <Formula> (26)
C27H30Cl2F2N6O

>  <MolWeight> (26)
563.4695064

>  <Cat> (26)
S2686

>  <Name> (26)
NVP-BSK805 2HCl

>  <Synonyms> (26)
N/A

>  <Target> (26)
JAK

>  <Form> (26)
HCl

>  <CAS> (26)
1092499-93-8 (free base)

>  <URL> (26)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
Artesunate.cdx
csChFnd80/12292111042D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 16  3  1  0  0  0  0
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M  END
>  <Mol_ID> (27)
391

>  <Formula> (27)
C19H28O8

>  <MolWeight> (27)
384.42082

>  <Cat> (27)
S2265

>  <Name> (27)
Artesunate

>  <Synonyms> (27)
N/A

>  <Target> (27)
STAT

>  <Form> (27)
Free Base

>  <CAS> (27)
88495-63-0

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

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/12292111042D

 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
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M  END
>  <Mol_ID> (28)
396

>  <Formula> (28)
C20H28O2

>  <MolWeight> (28)
300.43512

>  <Cat> (28)
S1653

>  <Name> (28)
All-trans Retinoic Acid (Tretinoin)

>  <Synonyms> (28)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (28)
Retinoid Receptor

>  <Form> (28)
Free Base

>  <CAS> (28)
302-79-4

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/12292111042D

 17 18  0  0  0  0  0  0  0  0999 V2000
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Azacitidine (Vidaza)

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5-azacytidine, Mylosar, Ladakamycin 

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DNA/RNA Synthesis

>  <Form> (29)
Free Base

>  <CAS> (29)
320-67-2

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

$$$$
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472

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S2851

>  <Name> (30)
Baricitinib (LY3009104)

>  <Synonyms> (30)
INCB 28050

>  <Target> (30)
JAK

>  <Form> (30)
Free Base

>  <CAS> (30)
1187594-09-7

>  <URL> (30)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/12292111042D

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486

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S1950

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Metformin hydrochloride (Glucophage)

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Glucophage, Riomet, Diabex

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Hydrochloride

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1115-70-4

>  <URL> (31)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

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Indirubin.cdx
csChFnd80/12292111042D

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527

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C16H10N2O2

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262.2628

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S2386

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Indirubin

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N/A

>  <Target> (32)
GSK-3

>  <Form> (32)
Free Base

>  <CAS> (32)
479-41-4 

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

$$$$
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CHIR-98014

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N/A

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GSK-3

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Free Base

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252935-94-7

>  <URL> (33)
http://www.selleckchem.com/products/chir-98014.html

$$$$
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Verteporfin (Visudyne)

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Visudyne

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5-alpha Reductase 

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Free Base

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129497-78-5

>  <URL> (39)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

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CEP33779

>  <Synonyms> (40)
N/A

>  <Target> (40)
JAK

>  <Form> (40)
Free Base

>  <CAS> (40)
1257704-57-6

>  <URL> (40)
http://www.selleckchem.com/products/cep33779.html

$$$$
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Dexamethasone acetate

>  <Synonyms> (41)
N/A

>  <Target> (41)
IL Receptor,Autophagy

>  <Form> (41)
Free Base

>  <CAS> (41)
1177-87-3

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

$$$$
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JAK

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Free Base

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905586-69-8

>  <URL> (44)
http://www.selleckchem.com/products/AZ-960.html

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208255-80-5

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JAK 

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Free Base

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1056634-68-4

>  <URL> (46)
http://www.selleckchem.com/products/Cyt387.html

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Cryptotanshinone.cdx
csChFnd80/12292111042D

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N/A

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STAT

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Free Base

>  <CAS> (47)
35825-57-1

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

$$$$
Hesperetin.cdx
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>  <Mol_ID> (48)
730

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C16H14O6

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S2308

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Hesperetin

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N/A

>  <Target> (48)
Histamine Receptor

>  <Form> (48)
Free Base

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520-33-2

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

$$$$
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Curcumol

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N/A

>  <Target> (49)
JAK

>  <Form> (49)
Free Base

>  <CAS> (49)
4871-97-0

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

$$$$
LY 411575.cdx
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209984-57-6

>  <URL> (50)
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$$$$
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M  END
>  <Mol_ID> (51)
796

>  <Formula> (51)
C26H35N7O2S

>  <MolWeight> (51)
509.6668

>  <Cat> (51)
S2692

>  <Name> (51)
TG101209

>  <Synonyms> (51)
N/A

>  <Target> (51)
Flt, JAK, c-RET

>  <Form> (51)
Free Base

>  <CAS> (51)
936091-14-4

>  <URL> (51)
http://www.selleckchem.com/products/tg101209.html

$$$$
CP-690550 citrate.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (52)
839

>  <Formula> (52)
C22H28N6O8

>  <MolWeight> (52)
504.49312

>  <Cat> (52)
S5001

>  <Name> (52)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (52)
N/A 

>  <Target> (52)
JAK

>  <Form> (52)
Citrate

>  <CAS> (52)
540737-29-9

>  <URL> (52)
http://www.selleckchem.com/products/CP-690550.html

$$$$
LY2157299.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (53)
868

>  <Formula> (53)
C22H19N5O

>  <MolWeight> (53)
369.41916

>  <Cat> (53)
S2230

>  <Name> (53)
Galunisertib (LY2157299)

>  <Synonyms> (53)
N/A 

>  <Target> (53)
TGF-beta/Smad

>  <Form> (53)
Free Base

>  <CAS> (53)
700874-72-2

>  <URL> (53)
http://www.selleckchem.com/products/ly2157299.html

$$$$
TWS119.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (54)
899

>  <Formula> (54)
C18H14N4O2

>  <MolWeight> (54)
318.32936

>  <Cat> (54)
S1590

>  <Name> (54)
TWS119

>  <Synonyms> (54)
N/A

>  <Target> (54)
GSK-3

>  <Form> (54)
Free Base

>  <CAS> (54)
601514-19-6

>  <URL> (54)
http://www.selleckchem.com/products/TWS119.html

$$$$
ICG001.cdx
csChFnd80/12292111042D

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AMPK

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844499-71-4

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http://www.selleckchem.com/products/a-769662.html

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1123

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C12H11NO

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Pirfenidone

>  <Synonyms> (64)
N/A

>  <Target> (64)
TGF-beta/Smad

>  <Form> (64)
Free Base

>  <CAS> (64)
53179-13-8

>  <URL> (64)
http://www.selleckchem.com/products/pirfenidone.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/12292111042D

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1134

>  <Formula> (65)
C17H18N6

>  <MolWeight> (65)
306.36502

>  <Cat> (65)
S2902

>  <Name> (65)
S-Ruxolitinib

>  <Synonyms> (65)
N/A

>  <Target> (65)
JAK

>  <Form> (65)
Free Base

>  <CAS> (65)
941685-37-6

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

$$$$
TDZD-8.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (66)
1164

>  <Formula> (66)
C10H10N2O2S

>  <MolWeight> (66)
222.2636

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S2926

>  <Name> (66)
TDZD-8

>  <Synonyms> (66)
N/A

>  <Target> (66)
GSK-3

>  <Form> (66)
Free Base

>  <CAS> (66)
327036-89-5 

>  <URL> (66)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/12292111042D

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>  <Mol_ID> (67)
1237

>  <Formula> (67)
C18H14N4O5S

>  <MolWeight> (67)
398.39256

>  <Cat> (67)
S1576

>  <Name> (67)
Sulfasalazine (Azulfidine)

>  <Synonyms> (67)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (67)
COX,NF-¦ÊB

>  <Form> (67)
Free Base

>  <CAS> (67)
599-79-1

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

$$$$
aicar.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (68)
1253

>  <Formula> (68)
C9H14N4O5

>  <MolWeight> (68)
258.23126

>  <Cat> (68)
S1802

>  <Name> (68)
AICAR (Acadesine)

>  <Synonyms> (68)
AICAR, AICA-riboside

>  <Target> (68)
AMPK

>  <Form> (68)
Free Base

>  <CAS> (68)
2627-69-2

>  <URL> (68)
http://www.selleckchem.com/products/Acadesine.html

$$$$
nifuroxazide.cdx
csChFnd80/12292111042D

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1364

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C12H9N3O5

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275.21696

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S4182

>  <Name> (69)
Nifuroxazide

>  <Synonyms> (69)
N/A

>  <Target> (69)
STAT

>  <Form> (69)
Free Base

>  <CAS> (69)
965-52-6

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

$$$$
R-Ruxolitinib.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (70)
1529

>  <Formula> (70)
C17H18N6

>  <MolWeight> (70)
306.36502

>  <Cat> (70)
S1378

>  <Name> (70)
Ruxolitinib (INCB018424)

>  <Synonyms> (70)
N/A

>  <Target> (70)
JAK

>  <Form> (70)
Free Base

>  <CAS> (70)
941678-49-5

>  <URL> (70)
http://www.selleckchem.com/products/INCB18424.html

$$$$
S1263.cdx
csChFnd80/12292111042D

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1554

>  <Formula> (71)
C22H18Cl2N8

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CHIR-99021 (CT99021)

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N/A

>  <Target> (71)
GSK-3

>  <Form> (71)
Free Base

>  <CAS> (71)
252917-06-9

>  <URL> (71)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
S4747 Jervine.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (72)
1714

>  <Formula> (72)
C27H39NO3

>  <MolWeight> (72)
425.60346

>  <Cat> (72)
S4747

>  <Name> (72)
Jervine

>  <Synonyms> (72)
11-Ketocyclopamine

>  <Target> (72)
Hedgehog/Smoothened

>  <Form> (72)
Free Base

>  <CAS> (72)
469-59-0

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (73)
1758

>  <Formula> (73)
C9H10O4

>  <MolWeight> (73)
182.1733

>  <Cat> (73)
S3630

>  <Name> (73)
Methyl Vanillate

>  <Synonyms> (73)
N/A

>  <Target> (73)
Wnt/¦Â-Catenin

>  <Form> (73)
free base

>  <CAS> (73)
3943-74-6

>  <URL> (73)
http://www.selleckchem.com/products/methyl-vanillate.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (74)
1825

>  <Formula> (74)
C17H17N3Na2O8

>  <MolWeight> (74)
437.31172

>  <Cat> (74)
S3745

>  <Name> (74)
Balsalazide disodium

>  <Synonyms> (74)
N/A

>  <Target> (74)
Immunology & Inflammation related

>  <Form> (74)
disodium salt dihydrate

>  <CAS> (74)
150399-21-6

>  <URL> (74)
http://www.selleckchem.com/products/balsalazide-disodium.html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (75)
1894

>  <Formula> (75)
C21H20O12

>  <MolWeight> (75)
464.3763

>  <Cat> (75)
S3842

>  <Name> (75)
Isoquercitrin

>  <Synonyms> (75)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (75)
Wnt/¦Â-catenin

>  <Form> (75)
free base

>  <CAS> (75)
482-35-9

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

$$$$
LY2109761.cdx
csChFnd80/12292111042D

 33 38  0  0  0  0  0  0  0  0999 V2000
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 19 14  1  0  0  0  0
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M  END
>  <Mol_ID> (76)
1987

>  <Formula> (76)
C26H27N5O2

>  <MolWeight> (76)
441.52488

>  <Cat> (76)
S2704

>  <Name> (76)
LY2109761

>  <Synonyms> (76)
N/A

>  <Target> (76)
TGF-beta/Smad

>  <Form> (76)
Free Base

>  <CAS> (76)
700874-71-1 

>  <URL> (76)
http://www.selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (77)
1988

>  <Formula> (77)
C23H17FN6O

>  <MolWeight> (77)
412.4190832

>  <Cat> (77)
S2788

>  <Name> (77)
Capmatinib (INCB28060)

>  <Synonyms> (77)
N/A

>  <Target> (77)
c-Met 

>  <Form> (77)
Free Base

>  <CAS> (77)
1029712-80-8

>  <URL> (77)
http://www.selleckchem.com/products/incb28060.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/12292111042D

 44 38  0  0  0  0  0  0  0  0999 V2000
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CXCR

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Octahydrochloride 

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155148-31-5

>  <URL> (78)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

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1991

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C17H12N4

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TGF-beta/Smad

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396129-53-6

>  <URL> (79)
http://www.selleckchem.com/products/ly364947.html

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KY02111

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N/A

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Wnt/beta-catenin

>  <Form> (80)
Free Base

>  <CAS> (80)
1118807-13-8

>  <URL> (80)
https://www.selleckchem.com/products/ky02111.html

$$$$
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>  <URL> (81)
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M  END
>  <Mol_ID> (83)
2253

>  <Formula> (83)
C8H15NaO2

>  <MolWeight> (83)
166.19327

>  <Cat> (83)
S1168

>  <Name> (83)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (83)
N/A 

>  <Target> (83)
GABA Receptor, HDAC

>  <CAS> (83)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (84)
2274

>  <Formula> (84)
C21H18O12

>  <MolWeight> (84)
462.36042

>  <Cat> (84)
S3810

>  <Name> (84)
Scutellarin

>  <Synonyms> (84)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (84)
Others

>  <Form> (84)
free base

>  <CAS> (84)
27740-01-8

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

$$$$
Plerixafor.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (85)
2322

>  <Formula> (85)
C28H54N8

>  <MolWeight> (85)
502.78196

>  <Cat> (85)
S8030

>  <Name> (85)
Plerixafor

>  <Synonyms> (85)
N/A

>  <Target> (85)
CXCR

>  <Form> (85)
Free Base

>  <CAS> (85)
110078-46-1

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

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/12292111042D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (86)
2334

>  <Formula> (86)
C26H21N3O3

>  <MolWeight> (86)
423.46324

>  <Cat> (86)
S7086

>  <Name> (86)
IWR-1-endo

>  <Synonyms> (86)
IWR-1

>  <Target> (86)
Wnt/beta-catenin

>  <Form> (86)
Free Base

>  <CAS> (86)
1127442-82-3

>  <URL> (86)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (87)
2340

>  <Formula> (87)
C8H5NO4S

>  <MolWeight> (87)
211.1946

>  <Cat> (87)
S7024

>  <Name> (87)
Stattic

>  <Synonyms> (87)
N/A

>  <Target> (87)
STAT

>  <Form> (87)
Free Base

>  <CAS> (87)
19983-44-9

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

$$$$
Zebularine.cdx
csChFnd80/12292111042D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3523    2.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    2.1729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5647    2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3085    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    3.5729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    5.6729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    6.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    5.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    3.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
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  1  4  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
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  1  9  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (88)
2352

>  <Formula> (88)
C9H12N2O5

>  <MolWeight> (88)
228.20198

>  <Cat> (88)
S7113

>  <Name> (88)
Zebularine

>  <Synonyms> (88)
N/A

>  <Target> (88)
DNA Methyltransferase

>  <Form> (88)
Free Base

>  <CAS> (88)
654065

>  <URL> (88)
https://www.selleckchem.com/products/zebularine.html

$$$$
Sodium butyrate.cdx
csChFnd80/12292111042D

  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> (89)
2411

>  <Formula> (89)
C4H7NaO2

>  <MolWeight> (89)
110.08695

>  <Cat> (89)
S1999

>  <Name> (89)
Sodium butyrate

>  <Synonyms> (89)
Butyric acid sodium salt

>  <Target> (89)
HDAC

>  <Form> (89)
Sodium Salt

>  <CAS> (89)
156-54-7

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

$$$$
Itraconazole.cdx
csChFnd80/12292111042D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6321    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5589    4.1158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7360    5.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4045    3.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0522    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7099    5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6764    2.1146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.4114    6.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470    8.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8096    8.5373    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
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  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  1  0  0  0  0
 13  7  1  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 17 20  1  0  0  0  0
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 24 20  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 36 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (90)
2423

>  <Formula> (90)
C35H38Cl2N8O4

>  <MolWeight> (90)
705.63342

>  <Cat> (90)
S2476

>  <Name> (90)
Itraconazole (Sporanox)

>  <Synonyms> (90)
Sporanox

>  <Target> (90)
P450 (e.g. CYP17)

>  <Form> (90)
Free Base

>  <CAS> (90)
84625-61-6

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

$$$$
3.cdx
csChFnd80/12292111042D

 37 41  0  0  0  0  0  0  0  0999 V2000
    3.5495    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2495    3.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6495    3.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3495    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6495    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2495    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7447    4.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8447    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5447    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8447    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4447    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9398    4.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6374    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7626    2.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6495    8.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (91)
2437

>  <Formula> (91)
C26H24F4N6O

>  <MolWeight> (91)
512.5019728

>  <Cat> (91)
S2157

>  <Name> (91)
Taladegib (LY2940680)

>  <Synonyms> (91)
N/A

>  <Target> (91)
Hedgehog, Smoothened

>  <Form> (91)
Free Base

>  <CAS> (91)
1258861-20-9

>  <URL> (91)
http://www.selleckchem.com/products/ly2940680.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/12292111042D

 36 37  0  0  0  0  0  0  0  0999 V2000
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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (92)
2485

>  <Formula> (92)
C22H28FNa2O8P

>  <MolWeight> (92)
516.4046242

>  <Cat> (92)
S4028

>  <Name> (92)
Dexamethasone Sodium Phosphate

>  <Synonyms> (92)
N/A

>  <Target> (92)
IL Receptor

>  <Form> (92)
Disodium salt

>  <CAS> (92)
55203-24-2

>  <URL> (92)
http://www.selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (93)
2503

>  <Formula> (93)
C28H29Cl2N3OS

>  <MolWeight> (93)
526.52036

>  <Cat> (93)
S7779

>  <Name> (93)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (93)
N/A

>  <Target> (93)
Hedgehog/Smoothened

>  <Form> (93)
Hydrochloride

>  <CAS> (93)
912545-86-9

>  <URL> (93)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (94)
2509

>  <Formula> (94)
C28H32O6

>  <MolWeight> (94)
464.55008

>  <Cat> (94)
S7259

>  <Name> (94)
FLLL32

>  <Synonyms> (94)
N/A

>  <Target> (94)
JAK

>  <Form> (94)
Free Base

>  <CAS> (94)
1226895-15-3

>  <URL> (94)
http://www.selleckchem.com/products/flll32.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/12292111042D

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>  <Mol_ID> (95)
2516

>  <Formula> (95)
C11H10N2O2S

>  <MolWeight> (95)
234.2743

>  <Cat> (95)
S7914

>  <Name> (95)
Isoxazole 9 (ISX-9)

>  <Synonyms> (95)
N/A

>  <Target> (95)
Others

>  <Form> (95)
Free Base

>  <CAS> (95)
832115-62-5

>  <URL> (95)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
P7C3.cdx
csChFnd80/12292111042D

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 13  3  1  0  0  0  0
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M  END
>  <Mol_ID> (96)
2534

>  <Formula> (96)
C21H18Br2N2O

>  <MolWeight> (96)
474.18842

>  <Cat> (96)
S7968

>  <Name> (96)
P7C3

>  <Synonyms> (96)
N/A

>  <Target> (96)
NAMPT

>  <Form> (96)
Free Base

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

>  <URL> (96)
http://www.selleckchem.com/products/p7c3.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (97)
2537

>  <Formula> (97)
C18H12BrN3O3

>  <MolWeight> (97)
398.21018

>  <Cat> (97)
S7915

>  <Name> (97)
BIO-acetoxime

>  <Synonyms> (97)
N/A

>  <Target> (97)
GSK-3

>  <Form> (97)
Free Base

>  <CAS> (97)
667463-85-6

>  <URL> (97)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/12292111042D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (98)
2552

>  <Formula> (98)
C8H16O2

>  <MolWeight> (98)
144.21144

>  <Cat> (98)
S3944

>  <Name> (98)
Valproic acid

>  <Synonyms> (98)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (98)
HDAC1

>  <Form> (98)
free base

>  <CAS> (98)
99-66-1

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

$$$$
AZD1080.cdx
csChFnd80/12292111042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (99)
2590

>  <Formula> (99)
C19H18N4O2

>  <MolWeight> (99)
334.37182

>  <Cat> (99)
S7145

>  <Name> (99)
AZD1080

>  <Synonyms> (99)
N/A

>  <Target> (99)
GSK-3

>  <Form> (99)
Free Base

>  <CAS> (99)
612487-72-6

>  <URL> (99)
http://www.selleckchem.com/products/azd1080.html

$$$$
purmorphamine.cdx
csChFnd80/12292111042D

 39 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (100)
2600

>  <Formula> (100)
C31H32N6O2

>  <MolWeight> (100)
520.62478

>  <Cat> (100)
S3042

>  <Name> (100)
Purmorphamine

>  <Synonyms> (100)
N/A

>  <Target> (100)
Hedgehog/Smoothened

>  <Form> (100)
Free Base

>  <CAS> (100)
483367-10-8

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

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (101)
2608

>  <Formula> (101)
C16H10BrN3O2

>  <MolWeight> (101)
356.1735

>  <Cat> (101)
S7198

>  <Name> (101)
BIO

>  <Synonyms> (101)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (101)
GSK-3

>  <Form> (101)
Free Base

>  <CAS> (101)
667463-62-9

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

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (102)
2612

>  <Formula> (102)
C17H13N5

>  <MolWeight> (102)
287.31862

>  <Cat> (102)
S7223

>  <Name> (102)
RepSox

>  <Synonyms> (102)
E-616452, SJN 2511

>  <Target> (102)
TGF-beta/Smad

>  <Form> (102)
Free Base

>  <CAS> (102)
446859-33-2

>  <URL> (102)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (103)
2615

>  <Formula> (103)
C21H23N7O3S

>  <MolWeight> (103)
453.51742

>  <Cat> (103)
S7253

>  <Name> (103)
AZD2858

>  <Synonyms> (103)
N/A

>  <Target> (103)
GSK-3

>  <Form> (103)
Free Base

>  <CAS> (103)
486424-20-8

>  <URL> (103)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/12292111042D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
2617

>  <Formula> (104)
C23H26ClNO

>  <MolWeight> (104)
367.91164

>  <Cat> (104)
S8004

>  <Name> (104)
ZM 39923 HCl

>  <Synonyms> (104)
N/A

>  <Target> (104)
JAK

>  <Form> (104)
HCl

>  <CAS> (104)
1021868-92-7

>  <URL> (104)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/12292111042D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (105)
2633

>  <Formula> (105)
C24H27Cl2N5O

>  <MolWeight> (105)
472.41008

>  <Cat> (105)
S7306

>  <Name> (105)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (105)
BML-275,Compound C

>  <Target> (105)
AMPK

>  <Form> (105)
Dihydrochloride

>  <CAS> (105)
1219168-18-9

>  <URL> (105)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/12292111042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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Thioridazine hydrochloride

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hydrochloride 

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130-61-0

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1059734-66-5

>  <URL> (107)
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JAK

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Free Base

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945755-56-6

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LDN193189 HCl

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N/A

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TGF-beta/Smad

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Hydrochloride

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1062368-62-0

>  <URL> (114)
http://www.selleckchem.com/products/ldn-193189-HCl.html

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GSK-3

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Free Base

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676596-65-9

>  <URL> (115)
http://www.selleckchem.com/products/1-azakenpaullone.html

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TGF-beta/Smad

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Free Base

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1062368-49-3

>  <URL> (116)
http://www.selleckchem.com/products/ml347.html

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TGF-beta/Smad

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1206711-16-1

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1432597-26-6

>  <URL> (118)
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838818-26-1

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957485-64-2

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2854

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>  <Target> (127)
GSK-3

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Free Base

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1129669-05-1

>  <URL> (127)
http://www.selleckchem.com/products/im-12.html

$$$$
filgotinib.cdx
csChFnd80/12292111042D

 30 34  0  0  0  0  0  0  0  0999 V2000
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2872

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C21H23N5O3S

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S7605

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Filgotinib£¨GLPG0643)

>  <Synonyms> (128)
N/A

>  <Target> (128)
JAK

>  <Form> (128)
Free Base

>  <CAS> (128)
1206161-97-8

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

$$$$
PF-04449913.cdx
csChFnd80/12292111042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (129)
2876

>  <Formula> (129)
C21H22N6O

>  <MolWeight> (129)
374.43898

>  <Cat> (129)
S7160

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Glasdegib (PF-04449913)

>  <Synonyms> (129)
N/A

>  <Target> (129)
Hedgehog/Smoothened

>  <Form> (129)
Free Base

>  <CAS> (129)
1095173-27-5

>  <URL> (129)
http://www.selleckchem.com/products/glasdegib-pf-04449913.html

$$$$
EW-7197.cdx
csChFnd80/12292111042D

 30 34  0  0  0  0  0  0  0  0999 V2000
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2896

>  <Formula> (130)
C22H18FN7

>  <MolWeight> (130)
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N/A

>  <Target> (130)
TGF-beta/Smad

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Free Base

>  <CAS> (130)
1352608-82-2

>  <URL> (130)
http://www.selleckchem.com/products/ew-7197.html

$$$$
Kartogenin.cdx
csChFnd80/12292111042D

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2897

>  <Formula> (131)
C20H15NO3

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Kartogenin

>  <Synonyms> (131)
N/A

>  <Target> (131)
TGF-beta/Smad

>  <Form> (131)
Free Base

>  <CAS> (131)
4727-31-5

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

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/12292111042D

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JAK

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1369761-01-2

>  <URL> (132)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

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Reversine.cdx
csChFnd80/12292111042D

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Reversine

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N/A

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Adenosine Receptor

>  <Form> (133)
Free Base

>  <CAS> (133)
656820-32-5

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

$$$$
AT13148.cdx
csChFnd80/12292111042D

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Akt

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1056901-62-2

>  <URL> (134)
http://www.selleckchem.com/products/at13148.html

$$$$
Bikinin.cdx
csChFnd80/12292111042D

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188011-69-0

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627536-09-8

>  <URL> (136)
http://www.selleckchem.com/products/sd-208.html

$$$$
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Dorsomorphin (Compound C)

>  <Synonyms> (140)
Compound C, BML-275

>  <Target> (140)
AMPK

>  <Form> (140)
Free Base

>  <CAS> (140)
866405-64-3

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

$$$$
BBI608(Napabucasin.cdx
csChFnd80/12292111042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  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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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 10 14  2  0  0  0  0
  7 15  2  0  0  0  0
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 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (141)
3048

>  <Formula> (141)
C14H8O4

>  <MolWeight> (141)
240.21092

>  <Cat> (141)
S7977

>  <Name> (141)
Napabucasin

>  <Synonyms> (141)
N/A

>  <Target> (141)
STAT

>  <Form> (141)
Free Base

>  <CAS> (141)
83280-65-3

>  <URL> (141)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
ASP015K.cdx
csChFnd80/12292111042D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
3054

>  <Formula> (142)
C18H22N4O2

>  <MolWeight> (142)
326.39288

>  <Cat> (142)
S7650

>  <Name> (142)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (142)
N/A

>  <Target> (142)
JAK

>  <Form> (142)
Free Base

>  <CAS> (142)
944118-01-8

>  <URL> (142)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
SW033291-1.cdx
csChFnd80/12292111042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (143)
3074

>  <Formula> (143)
C21H20N2OS3

>  <MolWeight> (143)
412.5913

>  <Cat> (143)
S7900

>  <Name> (143)
SW033291

>  <Synonyms> (143)
N/A

>  <Target> (143)
Dehydrogenase

>  <Form> (143)
Free Base

>  <CAS> (143)
459147-39-8

>  <URL> (143)
http://www.selleckchem.com/products/sw033291.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/12292111042D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (144)
3078

>  <Formula> (144)
C18H19F3N6O

>  <MolWeight> (144)
392.3782696

>  <Cat> (144)
S7541

>  <Name> (144)
Decernotinib (VX-509)

>  <Synonyms> (144)
N/A

>  <Target> (144)
JAK

>  <Form> (144)
Free Base

>  <CAS> (144)
944842-54-0

>  <URL> (144)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/12292111042D

 25 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (145)
3090

>  <Formula> (145)
C15H23ClFN3O4S

>  <MolWeight> (145)
395.8772232

>  <Cat> (145)
S7995

>  <Name> (145)
Ripasudil (K-115)

>  <Synonyms> (145)
N/A

>  <Target> (145)
ROCK

>  <Form> (145)
Hydrochloride dihydrate

>  <CAS> (145)
887375-67-9

>  <URL> (145)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (146)
3101

>  <Formula> (146)
C26H24N6O2

>  <MolWeight> (146)
452.50776

>  <Cat> (146)
S7936

>  <Name> (146)
KD025 (SLx-2119)

>  <Synonyms> (146)
N/A

>  <Target> (146)
ROCK

>  <Form> (146)
Free Base

>  <CAS> (146)
911417-87-3

>  <URL> (146)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (147)
3107

>  <Formula> (147)
C19H14O4

>  <MolWeight> (147)
306.31206

>  <Cat> (147)
S7951

>  <Name> (147)
STA-21

>  <Synonyms> (147)
N/A

>  <Target> (147)
STAT

>  <Form> (147)
Free Base

>  <CAS> (147)
111540-00-2

>  <URL> (147)
http://www.selleckchem.com/products/sta-21.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (148)
3119

>  <Formula> (148)
C19H19ClN4O3

>  <MolWeight> (148)
386.83216

>  <Cat> (148)
S8178

>  <Name> (148)
Wnt agonist 1

>  <Synonyms> (148)
N/A

>  <Target> (148)
Wnt/beta-catenin

>  <Form> (148)
Hydrochloride

>  <CAS> (148)
853220-52-7(free-base)

>  <URL> (148)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (149)
3129

>  <Formula> (149)
C19H27N5O6S

>  <MolWeight> (149)
453.51258

>  <Cat> (149)
S8195

>  <Name> (149)
Oclacitinib maleate

>  <Synonyms> (149)
PF-03394197

>  <Target> (149)
JAK

>  <Form> (149)
Free Base

>  <CAS> (149)
1640292-55-2

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

$$$$
Halofuginone.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (150)
3138

>  <Formula> (150)
C16H17BrClN3O3

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414.68148

>  <Cat> (150)
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Halofuginone

>  <Synonyms> (150)
N/A

>  <Target> (150)
Others

>  <Form> (150)
Free Base

>  <CAS> (150)
55837-20-2

>  <URL> (150)
http://www.selleckchem.com/products/halofuginone.html

$$$$
AS1842856.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (151)
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C18H22FN3O3

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AS1842856

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N/A

>  <Target> (151)
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Free Base

>  <CAS> (151)
836620-48-5

>  <URL> (151)
http://www.selleckchem.com/products/as1842856.html

$$$$
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Pluripotin (SC1)

>  <Synonyms> (152)
N/A

>  <Target> (152)
ERK

>  <Form> (152)
Free Base

>  <CAS> (152)
839707-37-8

>  <URL> (152)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$
IMR-1.cdx
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IMR-1

>  <Synonyms> (153)
N/A

>  <Target> (153)
Gamma-secretase

>  <Form> (153)
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>  <CAS> (153)
310456-65-6

>  <URL> (153)
http://www.selleckchem.com/products/imr-1.html

$$$$
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M  END
>  <Mol_ID> (154)
3202

>  <Formula> (154)
C21H22N4O2

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>  <Name> (154)
IQ-1

>  <Synonyms> (154)
N/A

>  <Target> (154)
Wnt/beta-catenin

>  <Form> (154)
Free Base

>  <CAS> (154)
331001-62-8

>  <URL> (154)
http://www.selleckchem.com/products/iq-1.html

$$$$
SIS3.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (155)
3236

>  <Formula> (155)
C28H28ClN3O3

>  <MolWeight> (155)
489.99322

>  <Cat> (155)
S7959

>  <Name> (155)
SIS3 HCl

>  <Synonyms> (155)
N/A

>  <Target> (155)
TGF-beta/Smad

>  <Form> (155)
hydrochloride

>  <CAS> (155)
521984-48-5

>  <URL> (155)
http://www.selleckchem.com/products/sis3.html

$$$$
MK-4101.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (156)
3237

>  <Formula> (156)
C24H24F5N5O

>  <MolWeight> (156)
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>  <Cat> (156)
S8200

>  <Name> (156)
MK-4101

>  <Synonyms> (156)
N/A

>  <Target> (156)
Hedgehog/Smoothened

>  <Form> (156)
Free Base

>  <CAS> (156)
935273-79-3

>  <URL> (156)
http://www.selleckchem.com/products/mk-4101.html

$$$$
KYA1797K.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (157)
3247

>  <Formula> (157)
C17H11KN2O6S2

>  <MolWeight> (157)
442.50734

>  <Cat> (157)
S8327

>  <Name> (157)
KYA1797K

>  <Synonyms> (157)
N/A

>  <Target> (157)
Wnt/beta-catenin

>  <Form> (157)
potassium salt

>  <CAS> (157)
1956356-56-1

>  <URL> (157)
http://www.selleckchem.com/products/kya1797k.html

$$$$
BMS-911543.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (158)
3260

>  <Formula> (158)
C23H28N8O

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432.52142

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S7144

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BMS-911543

>  <Synonyms> (158)
N/A

>  <Target> (158)
JAK

>  <Form> (158)
Free Base

>  <CAS> (158)
1271022-90-2

>  <URL> (158)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Alantolactone.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (159)
3275

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C15H20O2

>  <MolWeight> (159)
232.3181

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S8318

>  <Name> (159)
Alantolactone

>  <Synonyms> (159)
helenin, helenine, Eupatal

>  <Target> (159)
Others

>  <Form> (159)
Free Base

>  <CAS> (159)
546-43-0

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

$$$$
SKL2001.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (160)
3277

>  <Formula> (160)
C14H14N4O3

>  <MolWeight> (160)
286.28596

>  <Cat> (160)
S8320

>  <Name> (160)
SKL2001

>  <Synonyms> (160)
N/A

>  <Target> (160)
Wnt/beta-catenin

>  <Form> (160)
Free Base

>  <CAS> (160)
909089-13-0

>  <URL> (160)
http://www.selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (161)
3287

>  <Formula> (161)
C29H31ClN8O5

>  <MolWeight> (161)
607.06004

>  <Cat> (161)
S7687

>  <Name> (161)
GSK269962 HCl

>  <Synonyms> (161)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (161)
ROCK

>  <Form> (161)
hydrochloride

>  <CAS> (161)
850664-21-0(free base)

>  <URL> (161)
http://www.selleckchem.com/products/gsk269962.html

$$$$
HPI-4 (Ciliobrevin A).cdx
csChFnd80/12292111042D

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>  <Mol_ID> (162)
3295

>  <Formula> (162)
C17H9Cl2N3O2

>  <MolWeight> (162)
358.17826

>  <Cat> (162)
S8249

>  <Name> (162)
HPI-4 (Ciliobrevin A)

>  <Synonyms> (162)
Hedgehog Pathway Inhibitor 4

>  <Target> (162)
Hedgehog/Smoothened

>  <Form> (162)
Free Base

>  <CAS> (162)
302803-72-1

>  <URL> (162)
http://www.selleckchem.com/products/hpi-4-ciliobrevin-a.html

$$$$
XMU-MP-1.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (163)
3313

>  <Formula> (163)
C17H16N6O3S2

>  <MolWeight> (163)
416.47734

>  <Cat> (163)
S8334

>  <Name> (163)
XMU-MP-1

>  <Synonyms> (163)
N/A

>  <Target> (163)
Hippo pathway

>  <Form> (163)
Free Base

>  <URL> (163)
http://www.selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (164)
3314

>  <Formula> (164)
C16H18Cl2N4O

>  <MolWeight> (164)
353.24632

>  <Cat> (164)
S7935

>  <Name> (164)
Y-39983 HCl

>  <Synonyms> (164)
Y-33075 HCl

>  <Target> (164)
ROCK

>  <Form> (164)
dihydrochloride

>  <CAS> (164)
173897-44-4

>  <URL> (164)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (165)
3318

>  <Formula> (165)
C21H20N2O3S

>  <MolWeight> (165)
380.4601

>  <Cat> (165)
S8448

>  <Name> (165)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (165)
N/A

>  <Target> (165)
ROCK

>  <Form> (165)
Free Base

>  <CAS> (165)
557782-81-7

>  <URL> (165)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
LY3039478.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (166)
3328

>  <Formula> (166)
C22H23F3N4O4

>  <MolWeight> (166)
464.4376296

>  <Cat> (166)
S7169

>  <Name> (166)
LY3039478

>  <Synonyms> (166)
N/A

>  <Target> (166)
Gamma-secretase

>  <Form> (166)
Free Base

>  <CAS> (166)
1421438-81-4

>  <URL> (166)
http://www.selleckchem.com/products/ly3039478.html

$$$$
BP-1-102.cdx
csChFnd80/12292111042D

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>  <Mol_ID> (171)
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>  <Formula> (171)
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>  <MolWeight> (171)
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>  <Cat> (171)
S8208

>  <Name> (171)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (171)
N/A

>  <Target> (171)
ROCK

>  <Form> (171)
hydrochloride

>  <CAS> (171)
155558-32-0 (HCl salt)

>  <URL> (171)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
LF3.cdx
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3384

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C20H24N4O2S2

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LF3

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N/A

>  <Target> (172)
Wnt/beta-catenin

>  <Form> (172)
Free Base

>  <CAS> (172)
664969-54-4

>  <URL> (172)
http://www.selleckchem.com/products/lf3.html

$$$$
HJC0152.cdx
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>  <Formula> (173)
C15H14Cl3N3O4

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S8561

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HJC0152

>  <Synonyms> (173)
N/A

>  <Target> (173)
STAT3

>  <Form> (173)
hydrochloride

>  <CAS> (173)
1420290-99-8

>  <URL> (173)
http://www.selleckchem.com/products/hjc0152.html

$$$$
FM-381.cdx
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>  <Mol_ID> (174)
3494

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C24H24N6O2

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FM-381

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N/A

>  <Target> (174)
JAK3

>  <Form> (174)
free base

>  <CAS> (174)
No

>  <URL> (174)
http://www.selleckchem.com/products/fm-381.html

$$$$
iCRT3.cdx
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iCRT3

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>  <Target> (175)
Wnt/¦Â-catenin

>  <Form> (175)
free base

>  <CAS> (175)
901751-47-1

>  <URL> (175)
http://www.selleckchem.com/products/icrt3.html

$$$$
C188-9.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (176)
3501

>  <Formula> (176)
C27H21NO5S

>  <MolWeight> (176)
471.52434

>  <Cat> (176)
S8605

>  <Name> (176)
C188-9

>  <Synonyms> (176)
N/A

>  <Target> (176)
STAT3

>  <Form> (176)
free base

>  <CAS> (176)
432001-19-9

>  <URL> (176)
http://www.selleckchem.com/products/c188-9.html

$$$$
CA3.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (177)
3525

>  <Formula> (177)
C23H27N3O5S2

>  <MolWeight> (177)
489.60758

>  <Cat> (177)
S8661

>  <Name> (177)
CA3

>  <Synonyms> (177)
N/A

>  <Target> (177)
YAP/TEAD interaction

>  <Form> (177)
free base

>  <CAS> (177)
300802-28-2

>  <URL> (177)
http://www.selleckchem.com/products/ca3.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (178)
3553

>  <Formula> (178)
C6H6Na3O9P

>  <MolWeight> (178)
322.049511

>  <Cat> (178)
S5115

>  <Name> (178)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (178)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (178)
Others

>  <Form> (178)
sodium salt

>  <CAS> (178)
66170-10-3

>  <URL> (178)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (179)
3556

>  <Formula> (179)
C15H19N5O

>  <MolWeight> (179)
285.34426

>  <Cat> (179)
S8538

>  <Name> (179)
PF-06651600

>  <Synonyms> (179)
N/A

>  <Target> (179)
JAK3 

>  <Form> (179)
free base

>  <CAS> (179)
1792180-81-4

>  <URL> (179)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/12292111042D

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 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (180)
3582

>  <Formula> (180)
C15H10O5

>  <MolWeight> (180)
270.2369

>  <Cat> (180)
S8696

>  <Name> (180)
2-D08
2-D08

>  <Synonyms> (180)
2',3',4'-trihydroxy flavone

>  <Target> (180)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (180)
free base

>  <CAS> (180)
144707-18-6

>  <URL> (180)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/12292111042D

 40 45  0  0  0  0  0  0  0  0999 V2000
    0.0108    2.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4130    6.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5404    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7018    4.3188    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3080    3.2951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931    2.5039    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 18 15  1  0  0  0  0
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 19 20  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 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 29  1  0  0  0  0
 32 36  1  0  0  0  0
 31 40  1  0  0  0  0
 20 21  3  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (181)
3611

>  <Formula> (181)
C26H23F4N9O

>  <MolWeight> (181)
553.5141328

>  <Cat> (181)
S7812

>  <Name> (181)
Itacitinib (INCB39110)

>  <Synonyms> (181)
N/A

>  <Target> (181)
JAK

>  <Form> (181)
free base

>  <CAS> (181)
1334298-90-6

>  <URL> (181)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
AS1517499.cdx
csChFnd80/12292111042D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    9.1000    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
  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
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 17 12  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 20  1  0  0  0  0
M  END
>  <Mol_ID> (182)
3659

>  <Formula> (182)
C20H20ClN5O2

>  <MolWeight> (182)
397.8581

>  <Cat> (182)
S8685

>  <Name> (182)
AS1517499

>  <Synonyms> (182)
N/A

>  <Target> (182)
STAT

>  <Form> (182)
free base

>  <CAS> (182)
919486-40-1

>  <URL> (182)
http://selleckchem.com/products/as1517499.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/12292111042D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    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
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
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 24 25  2  0  0  0  0
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 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (183)
3729

>  <Formula> (183)
C17H21N6O4P

>  <MolWeight> (183)
404.360201

>  <Cat> (183)
S5243

>  <Name> (183)
Ruxolitinib Phosphate

>  <Synonyms> (183)
INCB018424, INC424

>  <Target> (183)
JAK

>  <Form> (183)
phosphate 

>  <CAS> (183)
1092939-17-7

>  <URL> (183)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/12292111042D

 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
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  1  5  2  0  0  0  0
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  6  7  1  0  0  0  0
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  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> (184)
3818

>  <Formula> (184)
C3H8NO6P

>  <MolWeight> (184)
185.072481

>  <Cat> (184)
S5137

>  <Name> (184)
O-Phospho-L-serine

>  <Synonyms> (184)
Dexfosfoserine

>  <Target> (184)
GluR

>  <Form> (184)
free base

>  <CAS> (184)
407-41-0

>  <URL> (184)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/12292111042D

 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
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  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> (185)
3880

>  <Formula> (185)
C8H6BrN

>  <MolWeight> (185)
196.04394

>  <Cat> (185)
S5439

>  <Name> (185)
5-Bromoindole

>  <Synonyms> (185)
N/A

>  <Target> (185)
GSK-3

>  <Form> (185)
free base

>  <CAS> (185)
10075-50-0

>  <URL> (185)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (186)
3938

>  <Formula> (186)
C49H76O20

>  <MolWeight> (186)
985.11574

>  <Cat> (186)
S5554

>  <Name> (186)
Lanatoside C

>  <Synonyms> (186)
N/A

>  <Target> (186)
ATPase

>  <Form> (186)
free base

>  <CAS> (186)
17575-22-3

>  <URL> (186)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5588 Creatine.cdx
csChFnd80/12292111042D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
3960

>  <Formula> (187)
C4H9N3O2

>  <MolWeight> (187)
131.13316

>  <Cat> (187)
S5588

>  <Name> (187)
Creatine

>  <Synonyms> (187)
Methylguanidoacetic acid

>  <Target> (187)
Others

>  <Form> (187)
free base

>  <CAS> (187)
57-00-1

>  <URL> (187)
http://selleckchem.com/products/creatine.html

$$$$
S9416 Triptonide.cdx
csChFnd80/12292111042D

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M  END
>  <Mol_ID> (188)
4113

>  <Formula> (188)
C20H22O6

>  <MolWeight> (188)
358.38508

>  <Cat> (188)
S9416

>  <Name> (188)
Triptonide

>  <Form> (188)
free base

>  <CAS> (188)
38647-11-9

$$$$

csChFnd80/12292111042D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (189)
4146

>  <Formula> (189)
C10H14N4O2

>  <MolWeight> (189)
222.24376

>  <Cat> (189)
S5836

>  <Name> (189)
IBMX

>  <Synonyms> (189)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (189)
PDE

>  <Form> (189)
Free Base

>  <CAS> (189)
28822-58-4

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

$$$$

csChFnd80/12292111042D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    3.6228    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3950    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    3.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4027    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    4.1781    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    4.1949    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    5.5854    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (190)
4173

>  <Formula> (190)
C6H6Br6

>  <MolWeight> (190)
557.53584

>  <Cat> (190)
S5902

>  <Name> (190)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (190)
NSC7908

>  <Target> (190)
JAK

>  <Form> (190)
Free Base

>  <CAS> (190)
1837-91-8

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

$$$$

csChFnd80/12292111042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (191)
4174

>  <Formula> (191)
C16H15N3O3

>  <MolWeight> (191)
297.3086

>  <Cat> (191)
S5903

>  <Name> (191)
JANEX-1

>  <Synonyms> (191)
WHI-P131

>  <Target> (191)
JAK

>  <Form> (191)
Free Base

>  <CAS> (191)
202475-60-3

>  <URL> (191)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/12292111042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (192)
4175

>  <Formula> (192)
C16H13Br2N3O3

>  <MolWeight> (192)
455.10072

>  <Cat> (192)
S5904

>  <Name> (192)
WHI-P97

>  <Synonyms> (192)
N/A

>  <Target> (192)
JAK

>  <Form> (192)
Free Base

>  <CAS> (192)
211555-05-4

>  <URL> (192)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/12292111042D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  7 12  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
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 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (193)
4186

>  <Formula> (193)
C22H23N5O2

>  <MolWeight> (193)
389.45032

>  <Cat> (193)
S5917

>  <Name> (193)
Solcitinib

>  <Synonyms> (193)
GLPG0778, GSK2586184

>  <Target> (193)
JAK

>  <Form> (193)
Free Base

>  <CAS> (193)
1206163-45-2

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

$$$$

csChFnd80/12292111042D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.0300    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 11 15  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 24  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (194)
4188

>  <Formula> (194)
C18H22ClN5S

>  <MolWeight> (194)
375.91878

>  <Cat> (194)
S5919

>  <Name> (194)
KHS101 hydrochloride

>  <Synonyms> (194)
N/A

>  <Target> (194)
Microtubule Associat

>  <Form> (194)
hydrochloride

>  <CAS> (194)
1784282-12-7

>  <URL> (194)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/12292111042D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    6.9018    2.7765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (195)
4218

>  <Formula> (195)
C14H11ClN4S2

>  <MolWeight> (195)
334.84694

>  <Cat> (195)
S8700

>  <Name> (195)
TP0427736 HCl

>  <Synonyms> (195)
N/A

>  <Target> (195)
ALK

>  <Form> (195)
hydrochloride

>  <CAS> (195)
864374-00-5

>  <URL> (195)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/12292111042D

 38 43  0  0  0  0  0  0  0  0999 V2000
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 25 21  1  0  0  0  0
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 31 26  1  0  0  0  0
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 35 37  1  0  0  0  0
 33 38  2  0  0  0  0
M  END
>  <Mol_ID> (196)
4236

>  <Formula> (196)
C29H24FN7O

>  <MolWeight> (196)
505.5455632

>  <Cat> (196)
S8761

>  <Name> (196)
Adavivint (SM04690)

>  <Synonyms> (196)
N/A

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

>  <Form> (196)
Free Base

>  <CAS> (196)
1467093-03-3

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

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/12292111042D

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   12.1445    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (197)
4246

>  <Formula> (197)
C29H39NO9

>  <MolWeight> (197)
545.62126

>  <Cat> (197)
S9015

>  <Name> (197)
Homoharringtonine

>  <CAS> (197)
26833-87-4

$$$$

csChFnd80/12292111042D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
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  4 22  1  0  0  0  0
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M  END
>  <Mol_ID> (198)
4754

>  <Formula> (198)
C16H20N7O6PS

>  <MolWeight> (198)
469.412061

>  <Cat> (198)
S5754

>  <Name> (198)
Baricitinib phosphate

>  <Synonyms> (198)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (198)
JAK

>  <Form> (198)
phosphate

>  <CAS> (198)
1187595-84-1

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

$$$$

csChFnd80/12292111042D

 29 31  0  0  0  0  0  0  0  0999 V2000
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915759-45-4

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N/A

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TGF-beta/Smad

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Free Base

>  <CAS> (200)
1898283-02-7

>  <URL> (200)
http://www.selleckchem.com/products/ly3200882.html

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csChFnd80/12292111042D

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N/A

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free base

>  <CAS> (201)
1622902-68-4

>  <URL> (201)
http://www.selleck.cn/products/pf-04965842.html

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 28 32  0  0  0  0  0  0  0  0999 V2000
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>  <Target> (202)
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1883299-62-4

>  <URL> (202)
http://www.selleck.cn/products/pf-06700841.html

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 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <Name> (203)
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STAT

>  <Form> (203)
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>  <CAS> (203)
50-65-7

>  <URL> (203)
http://www.selleck.cn/products/niclosamide-niclocide.html

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csChFnd80/12292111042D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    3.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    5.3322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    8.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6068    3.9628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9992    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5686    5.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6967    2.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 19  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (204)
5306

>  <Formula> (204)
C23H18N6O2

>  <MolWeight> (204)
410.42802

>  <Cat> (204)
S7137

>  <Name> (204)
GLPG0634 analogue

>  <Synonyms> (204)
N/A

>  <Target> (204)
JAK

>  <Form> (204)
Free Base

>  <CAS> (204)
1206101-20-3

>  <URL> (204)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/12292111042D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   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
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715   10.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673    7.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6367    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693    6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (205)
5310

>  <Formula> (205)
C19H18N4O3

>  <MolWeight> (205)
350.37122

>  <Cat> (205)
S8684

>  <Name> (205)
Selective JAK3 inhibitor 1

>  <Synonyms> (205)
N/A

>  <Target> (205)
JAK

>  <Form> (205)
Free Base

>  <CAS> (205)
1443235-95-7

>  <URL> (205)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/12292111042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    7.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675    5.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    4.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0544    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0544    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 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 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
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (206)
6572

>  <Formula> (206)
C14H14ClFN8

>  <MolWeight> (206)
348.7659632

>  <Cat> (206)
S2162

>  <Name> (206)
AZD1480

>  <Synonyms> (206)
N/A

>  <Target> (206)
JAK

>  <Form> (206)
free base

>  <CAS> (206)
935666-88-9

>  <URL> (206)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/12292111042D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    1.2124    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
  2  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 19 21  1  0  0  0  0
  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (207)
6589

>  <Formula> (207)
C16H13ClN4

>  <MolWeight> (207)
296.75422

>  <Cat> (207)
S6499

>  <Name> (207)
PF-6260933

>  <Synonyms> (207)
N/A

>  <Target> (207)
Serine/threonin kina

>  <Form> (207)
free base

>  <CAS> (207)
1811510-56-1

>  <URL> (207)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/12292111042D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (208)
6606

>  <Formula> (208)
C16H15N3O2

>  <MolWeight> (208)
281.3092

>  <Cat> (208)
S6521

>  <Name> (208)
WHI-P258

>  <Synonyms> (208)
N/A

>  <Target> (208)
JAK

>  <Form> (208)
free base

>  <CAS> (208)
21561-09-1

>  <URL> (208)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/12292111042D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
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6609

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C23H24N2O

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S6524

>  <Name> (209)
NSC 42834

>  <Synonyms> (209)
JAK2 Inhibitor V

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JAK

>  <Form> (209)
free base

>  <CAS> (209)
195371-52-9

>  <URL> (209)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/12292111042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11 15  2  0  0  0  0
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 13 16  1  0  0  0  0
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M  END
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6629

>  <Formula> (210)
C19H18N4OS

>  <MolWeight> (210)
350.43742

>  <Cat> (210)
S6565

>  <Name> (210)
JK184

>  <Synonyms> (210)
N/A

>  <Target> (210)
Hedgehog/Smoothened

>  <Form> (210)
free base

>  <CAS> (210)
315703-52-7

>  <URL> (210)
http://www.selleck.cn/products/jk184.html

$$$$

csChFnd80/12292111042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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>  <Mol_ID> (211)
6656

>  <Formula> (211)
C21H17N3O2S

>  <MolWeight> (211)
375.44358

>  <Cat> (211)
S8704

>  <Name> (211)
iCRT14

>  <Synonyms> (211)
N/A

>  <Target> (211)
Wnt/beta-catenin

>  <Form> (211)
free base

>  <CAS> (211)
677331-12-3

>  <URL> (211)
http://www.selleck.cn/products/icrt14.html

$$$$

csChFnd80/12292111042D

 19 21  0  0  0  0  0  0  0  0999 V2000
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C15H11BrN2S

>  <MolWeight> (212)
331.23024

>  <Cat> (212)
S6579

>  <Name> (212)
RCGD423

>  <Synonyms> (212)
N/A

>  <Target> (212)
P-gp

>  <Form> (212)
Free Base

>  <CAS> (212)
108237-91-8

>  <URL> (212)
http://www.selleck.cn/products/rcgd423.html

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6720

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Azaindole 1 (TC-S 7001)

>  <Synonyms> (213)
N/A

>  <Target> (213)
ROCK

>  <Form> (213)
Free Base

>  <CAS> (213)
867017-68-3

>  <URL> (213)
http://www.selleck.cn/products/azaindole-1.html

$$$$

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M  END
>  <Mol_ID> (214)
6732

>  <Formula> (214)
C27H29NO3

>  <MolWeight> (214)
415.52406

>  <Cat> (214)
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>  <Name> (214)
ITD-1

>  <Synonyms> (214)
N/A

>  <Target> (214)
TGF-beta/Smad

>  <Form> (214)
Free Base

>  <CAS> (214)
1099644-42-4

>  <URL> (214)
http://www.selleck.cn/products/itd-1.html

$$$$

csChFnd80/12292111042D

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>  <Mol_ID> (215)
6758

>  <Formula> (215)
C25H26N2O5

>  <MolWeight> (215)
434.48434

>  <Cat> (215)
S6745

>  <Name> (215)
JW55

>  <Synonyms> (215)
N/A

>  <Target> (215)
Wnt/beta-catenin

>  <Form> (215)
Free Base

>  <CAS> (215)
664993-53-7

>  <URL> (215)
http://www.selleck.cn/products/jw55.html

$$$$

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>  <Mol_ID> (216)
6785

>  <Formula> (216)
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>  <MolWeight> (216)
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>  <Cat> (216)
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>  <Name> (216)
NG25

>  <Synonyms> (216)
N/A

>  <Target> (216)
TGF-beta/Smad

>  <Form> (216)
Free Base

>  <CAS> (216)
1315355-93-1

>  <URL> (216)
http://www.selleck.cn/products/ng25.html

$$$$

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 10 11  1  0  0  0  0
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 16 18  2  0  0  0  0
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 19 20  1  0  0  0  0
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 22 27  1  0  0  0  0
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 25 28  2  0  0  0  0
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 30 34  1  0  0  0  0
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 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 19 23  1  0  0  0  0
 22  5  1  0  0  0  0
M  END
>  <Mol_ID> (217)
6806

>  <Formula> (217)
C31H34N4O2

>  <MolWeight> (217)
494.62726

>  <Cat> (217)
S2234

>  <Name> (217)
BIBF-0775

>  <Synonyms> (217)
N/A

>  <Target> (217)
TGF-beta/Smad

>  <Form> (217)
Free Base

>  <CAS> (217)
334951-90-5

>  <URL> (217)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/12292111042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    1.2124    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
  1 17  2  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 18 19  1  0  0  0  0
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 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> (218)
6818

>  <Formula> (218)
C20H31N3O

>  <MolWeight> (218)
329.47964

>  <Cat> (218)
S6654

>  <Name> (218)
SRI-011381

>  <Synonyms> (218)
N/A

>  <Target> (218)
TGF-beta/Smad

>  <Form> (218)
Free Base

>  <CAS> (218)
1629138-41-5

>  <URL> (218)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/12292111042D

 21 22  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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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
  5 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
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  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
M  END
>  <Mol_ID> (219)
6901

>  <Formula> (219)
C15H11ClF3NO

>  <MolWeight> (219)
313.7021496

>  <Cat> (219)
S8951

>  <Name> (219)
TED-347

>  <Synonyms> (219)
N/A

>  <Target> (219)
Hippo pathway

>  <Form> (219)
Free Base

>  <CAS> (219)
2378626-29-8

>  <URL> (219)
http://www.selleckchem.com/products/ted-347.html

$$$$

csChFnd80/12292111042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    3.3978    5.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9863    5.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1325    7.1602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6847    3.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5305    3.2915    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
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 12 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 18  1  0  0  0  0
  7 12  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 26  2  0  0  0  0
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  9 21  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (220)
6913

>  <Formula> (220)
C20H13FN4O2

>  <MolWeight> (220)
360.3412232

>  <Cat> (220)
S5183

>  <Name> (220)
PD 169316

>  <Synonyms> (220)
N/A

>  <Target> (220)
p38 MAPK

>  <Form> (220)
Free Base

>  <CAS> (220)
152121-53-4

>  <URL> (220)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12292111042D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (221)
6927

>  <Formula> (221)
C16H11N3O3

>  <MolWeight> (221)
293.27684

>  <Cat> (221)
S6784

>  <Name> (221)
STAT5-IN-1

>  <Synonyms> (221)
N/A

>  <Target> (221)
STAT

>  <Form> (221)
Free Base

>  <CAS> (221)
285986-31-4

>  <URL> (221)
http://www.selleckchem.com/products/stat-in-1.html

$$$$

csChFnd80/12292111042D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (222)
6940

>  <Formula> (222)
C20H13F2N3

>  <MolWeight> (222)
333.3341264

>  <Cat> (222)
S6807

>  <Name> (222)
TA-02

>  <Synonyms> (222)
N/A

>  <Target> (222)
p38 MAPK

>  <Form> (222)
Free Base

>  <CAS> (222)
1784751-19-4

>  <URL> (222)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12292111042D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (223)
6951

>  <Formula> (223)
C12H8N2

>  <MolWeight> (223)
180.20532

>  <Cat> (223)
S6830

>  <Name> (223)
o-Phenanthroline

>  <Synonyms> (223)
1,10-Phenanthroline, phen

>  <Target> (223)
MMP

>  <Form> (223)
Free Base

>  <CAS> (223)
66-71-7

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

$$$$

csChFnd80/12292111042D

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 25 28  1  0  0  0  0
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M  END
>  <Mol_ID> (224)
6982

>  <Formula> (224)
C26H34N6O3S

>  <MolWeight> (224)
510.65156

>  <Cat> (224)
S0391

>  <Name> (224)
TG-89

>  <Synonyms> (224)
N/A

>  <Target> (224)
JAK

>  <Form> (224)
Free Base

>  <CAS> (224)
936091-56-4

>  <URL> (224)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/12292111042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (225)
6992

>  <Formula> (225)
C14H10BrNOS

>  <MolWeight> (225)
320.2043

>  <Cat> (225)
S0523

>  <Name> (225)
SB?4

>  <Synonyms> (225)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (225)
TGF-beta/Smad

>  <Form> (225)
Free Base

>  <CAS> (225)
100874-08-6

>  <URL> (225)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/12292111042D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (226)
7023

>  <Formula> (226)
C25H19N5S

>  <MolWeight> (226)
421.51686

>  <Cat> (226)
S7692

>  <Name> (226)
A-83-01

>  <Synonyms> (226)
N/A

>  <Target> (226)
ALK

>  <Form> (226)
Free Base

>  <CAS> (226)
909910-43-6

>  <URL> (226)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/12292111042D

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331862-41-0

>  <URL> (227)
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>  <Formula> (228)
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>  <MolWeight> (228)
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>  <Cat> (228)
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>  <Name> (228)
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>  <Target> (228)
MAP4K

>  <Form> (228)
free base

>  <CAS> (228)
2306178-56-1

>  <URL> (228)
http://www.selleckchem.com/products/dmx-5084.html

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csChFnd80/12292111042D

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>  <Formula> (229)
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>  <MolWeight> (229)
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>  <Cat> (229)
S0445

>  <Name> (229)
SC-43

>  <Target> (229)
phosphatase

>  <Form> (229)
free base

>  <CAS> (229)
1400989-25-4

>  <URL> (229)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/12292111042D

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314.3192

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KY1220

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Wnt/beta-catenin

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free base

>  <CAS> (230)
292168-79-7

>  <URL> (230)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/12292111042D

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7101

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392.5753

>  <Cat> (231)
S0752

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AUDA

>  <Target> (231)
Epoxide Hydrolase

>  <Form> (231)
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>  <CAS> (231)
479413-70-2

>  <URL> (231)
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$$$$

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  1  2  2  0  0  0  0
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 11 12  2  0  0  0  0
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 18 13  1  0  0  0  0
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 20 22  2  0  0  0  0
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 23 24  1  0  0  0  0
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 29 24  1  0  0  0  0
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 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> (232)
7107

>  <Formula> (232)
C28H29NO6

>  <MolWeight> (232)
475.53296

>  <Cat> (232)
S0818

>  <Name> (232)
STAT3-IN-1

>  <Target> (232)
STAT

>  <Form> (232)
free base

>  <CAS> (232)
2059952-75-7

>  <URL> (232)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/12292111042D

 40 43  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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  1 30  1  1  0  0  0
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M  END
>  <Mol_ID> (233)
7113

>  <Formula> (233)
C30H48O7

>  <MolWeight> (233)
520.69792

>  <Cat> (233)
S0949

>  <Name> (233)
Cucurbitacin IIb

>  <Target> (233)
STAT

>  <Form> (233)
free base

>  <CAS> (233)
50298-90-3

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

$$$$

csChFnd80/12292111042D

 13 13  0  0  0  0  0  0  0  0999 V2000
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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
  6 12  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> (234)
7133

>  <Formula> (234)
C7H14O6

>  <MolWeight> (234)
194.18246

>  <Cat> (234)
S3223

>  <Name> (234)
L-Quebrachitol

>  <Target> (234)
TGF-beta/Smad

>  <Form> (234)
free base

>  <CAS> (234)
642-38-6

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

$$$$

csChFnd80/12292111042D

 28 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (235)
7141

>  <Formula> (235)
C24H32O4

>  <MolWeight> (235)
384.50848

>  <Cat> (235)
S3238

>  <Name> (235)
Resibufogenin

>  <Target> (235)
RIP kinase

>  <Form> (235)
free base

>  <CAS> (235)
465-39-4

>  <URL> (235)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/12292111042D

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>  <Mol_ID> (236)
7165

>  <Formula> (236)
C27H30O15

>  <MolWeight> (236)
594.5181

>  <Cat> (236)
S3267

>  <Name> (236)
Kaempferol-3-O-rutinoside

>  <Target> (236)
Apoptosis related

>  <Form> (236)
free base

>  <CAS> (236)
17650-84-9

>  <URL> (236)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/12292111042D

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>  <Mol_ID> (237)
7186

>  <Formula> (237)
C17H24O2

>  <MolWeight> (237)
260.37126

>  <Cat> (237)
S3292

>  <Name> (237)
Falcarindiol

>  <Target> (237)
NOS

>  <Form> (237)
free base

>  <CAS> (237)
225110-25-8

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

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csChFnd80/12292111042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (238)
7240

>  <Formula> (238)
C20H12N2OS4

>  <MolWeight> (238)
424.58208

>  <Cat> (238)
S6898

>  <Name> (238)
RCM-1

>  <Target> (238)
Interleukins

>  <Form> (238)
free base

>  <CAS> (238)
339163-65-4

>  <URL> (238)
http://www.selleckchem.com/products/rcm-1.html

$$$$

csChFnd80/12292111042D

 30 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (239)
7278

>  <Formula> (239)
C22H13FN2O5

>  <MolWeight> (239)
404.3474232

>  <Cat> (239)
S9602

>  <Name> (239)
9-ing-41

>  <Target> (239)
GSK-3

>  <Form> (239)
free base

>  <CAS> (239)
1034895-42-5

>  <URL> (239)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/12292111042D

 24 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (240)
7323

>  <Formula> (240)
C21H18N2O

>  <MolWeight> (240)
314.38042

>  <Cat> (240)
S0765

>  <Name> (240)
MAZ51

>  <Synonyms> (240)
N/A

>  <Target> (240)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (240)
Free Base

>  <CAS> (240)
163655-37-6

>  <URL> (240)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/12292111042D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    3.2196    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (241)
7398

>  <Formula> (241)
C16H15FN2O4

>  <MolWeight> (241)
318.2997032

>  <Cat> (241)
S0153

>  <Name> (241)
SJ000291942

>  <Synonyms> (241)
N/A

>  <Target> (241)
TGF-beta/Smad

>  <Form> (241)
Free Base

>  <CAS> (241)
425613-09-8

>  <URL> (241)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/12292111042D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    3.5703    4.8776    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> (242)
7421

>  <Formula> (242)
C16H11N3O3

>  <MolWeight> (242)
293.27684

>  <Cat> (242)
S0354

>  <Name> (242)
Alsterpaullone

>  <Synonyms> (242)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (242)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (242)
Free Base

>  <CAS> (242)
237430-03-4

>  <URL> (242)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/12292111042D

 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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  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> (243)
7425

>  <Formula> (243)
C17H14Cl2N6O

>  <MolWeight> (243)
389.23866

>  <Cat> (243)
S0384

>  <Name> (243)
RO495

>  <Synonyms> (243)
CS-2667

>  <Target> (243)
JAK

>  <Form> (243)
Free Base

>  <CAS> (243)
1258296-60-4

>  <URL> (243)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/12292111042D

 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
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    3.7401    3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1893    3.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
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 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
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M  END
>  <Mol_ID> (244)
7459

>  <Formula> (244)
C18H13F2NO3

>  <MolWeight> (244)
329.2975264

>  <Cat> (244)
S0881

>  <Name> (244)
Mitochonic acid 5

>  <Synonyms> (244)
MA-5

>  <Target> (244)
Mitophagy. MAPK. ERK. Yap

>  <Form> (244)
Free Base

>  <CAS> (244)
1354707-41-7

>  <URL> (244)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/12292111042D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  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
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (245)
7612

>  <Formula> (245)
C15H15NO4S

>  <MolWeight> (245)
305.3489

>  <Cat> (245)
S6901

>  <Name> (245)
MSAB

>  <Synonyms> (245)
N/A

>  <Target> (245)
Wnt/beta-catenin

>  <Form> (245)
Free Base

>  <CAS> (245)
173436-66-3

>  <URL> (245)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/12292111042D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   11.4022    3.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4123    4.7414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3834    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
  5  8  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (246)
7636

>  <Formula> (246)
C15H17F3N2O

>  <MolWeight> (246)
298.3034896

>  <Cat> (246)
S8950

>  <Name> (246)
MYF-01-37

>  <Synonyms> (246)
N/A

>  <Target> (246)
YAP

>  <Form> (246)
Free Base

>  <CAS> (246)
unknown

>  <URL> (246)
https://www.selleckchem.com/products/myf-01-37.html

$$$$

csChFnd80/12292111042D

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7645

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C119H206N32O35

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Colivelin

>  <Synonyms> (247)
CLN

>  <Target> (247)
STAT. Beta Amyloid.

>  <Form> (247)
Free Base

>  <CAS> (247)
867021-83-8

>  <URL> (247)
https://www.selleckchem.com/products/colivelin.html

$$$$

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>  <Mol_ID> (248)
7664

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C15H18N2O

>  <MolWeight> (248)
242.31622

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CB-103

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N/A

>  <Target> (248)
Notch

>  <Form> (248)
Free Base

>  <CAS> (248)
218457-67-1

>  <URL> (248)
https://www.selleckchem.com/products/cb-103.html

$$$$

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7667

>  <Formula> (249)
C17H8Cl3N3O2

>  <MolWeight> (249)
392.62332

>  <Cat> (249)
S9743

>  <Name> (249)
Ciliobrevin D

>  <Synonyms> (249)
N/A

>  <Target> (249)
Hedgehog/Smoothened. ATPase

>  <Form> (249)
Free Base

>  <CAS> (249)
1370554-01-0

>  <URL> (249)
https://www.selleckchem.com/products/ciliobrevin-d.html

$$$$
