Bosutinib (SKI-606).cdx
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>  <Mol_ID> (1)
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Bosutinib (SKI-606)

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Src

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Free Base

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380843-75-4

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

$$$$
Y-27632 2HCL.cdx
csChFnd80/12292211152D

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33

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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

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

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

$$$$
untitled.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (3)
42

>  <Formula> (3)
C22H16N4O3

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SB 431542

>  <Synonyms> (3)
N/A

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

>  <Form> (3)
Free Base

>  <CAS> (3)
301836-41-9

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

$$$$
1.cdx
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>  <Mol_ID> (4)
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GSK-3 

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280744-09-4

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

$$$$
SB203580.cdx
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p38 MAPK 

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152121-47-6

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879085-55-9

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PI3K 

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Free Base

>  <CAS> (7)
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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157

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N/A

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FGFR, VEGFR

>  <Form> (14)
Free Base

>  <CAS> (14)
219580-11-7

>  <URL> (14)
http://www.selleckchem.com/products/PD-173074.html

$$$$
Dexamethasone.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (15)
215

>  <Formula> (15)
C22H29FO5

>  <MolWeight> (15)
392.4610632

>  <Cat> (15)
S1322

>  <Name> (15)
Dexamethasone

>  <Synonyms> (15)
Decadron

>  <Target> (15)
IL Receptor

>  <Form> (15)
Free Base

>  <CAS> (15)
18296

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

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (16)
221

>  <Formula> (16)
C17H19ClF3NO

>  <MolWeight> (16)
345.7870696

>  <Cat> (16)
S1333

>  <Name> (16)
Fluoxetine  HCl

>  <Synonyms> (16)
Prozac, Sarafem

>  <Target> (16)
5-HT Receptor

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
56296-78-7

>  <URL> (16)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (17)
235

>  <Formula> (17)
C22H19Cl3N8

>  <MolWeight> (17)
501.79886

>  <Cat> (17)
S2924

>  <Name> (17)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (17)
N/A

>  <Target> (17)
PI3K/Akt/mTOR

>  <Form> (17)
Hydrochloride

>  <CAS> (17)
252917-06-9 (free base)

>  <URL> (17)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
resveratrol.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (18)
251

>  <Formula> (18)
C14H12O3

>  <MolWeight> (18)
228.24328

>  <Cat> (18)
S1396

>  <Name> (18)
Resveratrol

>  <Synonyms> (18)
N/A

>  <Target> (18)
Sirtuin

>  <Form> (18)
Free Base

>  <CAS> (18)
501-36-0

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

$$$$
Thiazovivin.cdx
csChFnd80/12292211152D

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ROCK 

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864082-47-3

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TGF-beta/Smad

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Free Base

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356559-20-1

>  <URL> (22)
http://www.selleckchem.com/products/SB-525334.html

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21679-14-1

>  <URL> (23)
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M  END
>  <Mol_ID> (24)
319

>  <Formula> (24)
C16H17Cl2N5O2

>  <MolWeight> (24)
382.24448

>  <Cat> (24)
S1524

>  <Name> (24)
AT7519

>  <Synonyms> (24)
N/A

>  <Target> (24)
CDK 

>  <Form> (24)
Free Base

>  <CAS> (24)
844442-38-2

>  <URL> (24)
http://www.selleckchem.com/products/AT7519.html

$$$$
Fasudil HCl.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (25)
352

>  <Formula> (25)
C14H18ClN3O2S

>  <MolWeight> (25)
327.82962

>  <Cat> (25)
S1573

>  <Name> (25)
Fasudil HCl (HA-1077)

>  <Synonyms> (25)
AT-877 

>  <Target> (25)
ROCK

>  <Form> (25)
Hydrochloride

>  <CAS> (25)
105628-07-7

>  <URL> (25)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
Semagacestat.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (26)
358

>  <Formula> (26)
C19H27N3O4

>  <MolWeight> (26)
361.43538

>  <Cat> (26)
S1594

>  <Name> (26)
Semagacestat (LY450139)

>  <Synonyms> (26)
LY-450139, LY450139

>  <Target> (26)
Gamma-secretase

>  <Form> (26)
Free Base

>  <CAS> (26)
425386-60-3

>  <URL> (26)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/12292211152D

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M  END
>  <Mol_ID> (27)
360

>  <Formula> (27)
C27H30Cl2F2N6O

>  <MolWeight> (27)
563.4695064

>  <Cat> (27)
S2686

>  <Name> (27)
NVP-BSK805 2HCl

>  <Synonyms> (27)
N/A

>  <Target> (27)
JAK

>  <Form> (27)
HCl

>  <CAS> (27)
1092499-93-8 (free base)

>  <URL> (27)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
Artesunate.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (28)
391

>  <Formula> (28)
C19H28O8

>  <MolWeight> (28)
384.42082

>  <Cat> (28)
S2265

>  <Name> (28)
Artesunate

>  <Synonyms> (28)
N/A

>  <Target> (28)
STAT

>  <Form> (28)
Free Base

>  <CAS> (28)
88495-63-0

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

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/12292211152D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (29)
396

>  <Formula> (29)
C20H28O2

>  <MolWeight> (29)
300.43512

>  <Cat> (29)
S1653

>  <Name> (29)
All-trans Retinoic Acid (Tretinoin)

>  <Synonyms> (29)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (29)
Retinoid Receptor

>  <Form> (29)
Free Base

>  <CAS> (29)
302-79-4

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/12292211152D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 11 16  2  0  0  0  0
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M  END
>  <Mol_ID> (30)
459

>  <Formula> (30)
C8H12N4O5

>  <MolWeight> (30)
244.20468

>  <Cat> (30)
S1782

>  <Name> (30)
Azacitidine (Vidaza)

>  <Synonyms> (30)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (30)
DNA/RNA Synthesis

>  <Form> (30)
Free Base

>  <CAS> (30)
320-67-2

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

$$$$
Baricitinib.cdx
csChFnd80/12292211152D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    8.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    8.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    6.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    8.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (31)
472

>  <Formula> (31)
C16H17N7O2S

>  <MolWeight> (31)
371.41688

>  <Cat> (31)
S2851

>  <Name> (31)
Baricitinib (LY3009104)

>  <Synonyms> (31)
INCB 28050

>  <Target> (31)
JAK

>  <Form> (31)
Free Base

>  <CAS> (31)
1187594-09-7

>  <URL> (31)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/12292211152D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (32)
486

>  <Formula> (32)
C4H12ClN5

>  <MolWeight> (32)
165.62458

>  <Cat> (32)
S1950

>  <Name> (32)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (32)
Glucophage, Riomet, Diabex

>  <Target> (32)
Others

>  <Form> (32)
Hydrochloride

>  <CAS> (32)
1115-70-4

>  <URL> (32)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Indirubin.cdx
csChFnd80/12292211152D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8 10  2  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (33)
526

>  <Formula> (33)
C16H10N2O2

>  <MolWeight> (33)
262.2628

>  <Cat> (33)
S2386

>  <Name> (33)
Indirubin

>  <Synonyms> (33)
N/A

>  <Target> (33)
GSK-3

>  <Form> (33)
Free Base

>  <CAS> (33)
479-41-4 

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

$$$$
CHIR-98014.cdx
csChFnd80/12292211152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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JAK

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Free Base

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477600-75-2

>  <URL> (39)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
WP1066.cdx
csChFnd80/12292211152D

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592

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C17H14BrN3O

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WP1066

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N/A

>  <Target> (40)
JAK 

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Free Base

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857064-38-1

>  <URL> (40)
http://www.selleckchem.com/products/wp1066.html

$$$$
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608

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C41H42N4O8

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S1786

>  <Name> (41)
Verteporfin (Visudyne)

>  <Synonyms> (41)
Visudyne

>  <Target> (41)
5-alpha Reductase 

>  <Form> (41)
Free Base

>  <CAS> (41)
129497-78-5

>  <URL> (41)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

$$$$
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>  <Target> (42)
JAK

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1257704-57-6

>  <URL> (42)
http://www.selleckchem.com/products/cep33779.html

$$$$
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Dexamethasone acetate

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N/A

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IL Receptor,Autophagy

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Free Base

>  <CAS> (43)
1177-87-3

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

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LDE225 (NVP-LDE225, Erismodegib)

>  <Synonyms> (44)
N/A 

>  <Target> (44)
Smoothened

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Free Base

>  <CAS> (44)
956697-53-3

>  <URL> (44)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

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JAK 

>  <Form> (45)
Free Base

>  <CAS> (45)
1229236-86-5

>  <URL> (45)
http://www.selleckchem.com/products/LY2784544.html

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JAK

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Free Base

>  <CAS> (46)
905586-69-8

>  <URL> (46)
http://www.selleckchem.com/products/AZ-960.html

$$$$
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DAPT (GSI-IX)

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GSI-IX

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Gamma-secretase, Beta Amyloid

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208255-80-5

>  <URL> (47)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

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685

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C23H22N6O2

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Momelotinib (CYT387)

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CYT 11387 

>  <Target> (48)
JAK 

>  <Form> (48)
Free Base

>  <CAS> (48)
1056634-68-4

>  <URL> (48)
http://www.selleckchem.com/products/Cyt387.html

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Cryptotanshinone.cdx
csChFnd80/12292211152D

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711

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C19H20O3

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Cryptotanshinone

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N/A

>  <Target> (49)
STAT

>  <Form> (49)
Free Base

>  <CAS> (49)
35825-57-1

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

$$$$
Hesperetin.cdx
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728

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C16H14O6

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Hesperetin

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N/A

>  <Target> (50)
Histamine Receptor

>  <Form> (50)
Free Base

>  <CAS> (50)
520-33-2

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

$$$$
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Parthenolide ((-)-Parthenolide)

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N/A 

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HDAC,NF-¦ÊB,Mdm2,p53

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20554-84-1

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

$$$$
Curcumol.cdx
csChFnd80/12292211152D

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769

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C15H24O2

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236.34986

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S2407

>  <Name> (52)
Curcumol

>  <Synonyms> (52)
N/A

>  <Target> (52)
JAK

>  <Form> (52)
Free Base

>  <CAS> (52)
4871-97-0

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

$$$$
LY 411575.cdx
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>  <Mol_ID> (53)
790

>  <Formula> (53)
C26H23F2N3O4

>  <MolWeight> (53)
479.4753264

>  <Cat> (53)
S2714

>  <Name> (53)
LY411575

>  <Synonyms> (53)
N/A 

>  <Target> (53)
Gamma-secretase

>  <Form> (53)
Free Base

>  <CAS> (53)
209984-57-6

>  <URL> (53)
http://www.selleckchem.com/products/ly-411575.html

$$$$
TG1012009.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (54)
793

>  <Formula> (54)
C26H35N7O2S

>  <MolWeight> (54)
509.6668

>  <Cat> (54)
S2692

>  <Name> (54)
TG101209

>  <Synonyms> (54)
N/A

>  <Target> (54)
Flt, JAK, c-RET

>  <Form> (54)
Free Base

>  <CAS> (54)
936091-14-4

>  <URL> (54)
http://www.selleckchem.com/products/tg101209.html

$$$$
CP-690550 citrate.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (55)
836

>  <Formula> (55)
C22H28N6O8

>  <MolWeight> (55)
504.49312

>  <Cat> (55)
S5001

>  <Name> (55)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (55)
N/A 

>  <Target> (55)
JAK

>  <Form> (55)
Citrate

>  <CAS> (55)
540737-29-9

>  <URL> (55)
http://www.selleckchem.com/products/CP-690550.html

$$$$
LY2157299.cdx
csChFnd80/12292211152D

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936091-26-8

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>  <URL> (62)
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865854-05-3 

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

$$$$
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JAK, EGFR

>  <Form> (65)
Free Base

>  <CAS> (65)
211555-04-3

>  <URL> (65)
http://www.selleckchem.com/products/whi-p154.html

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Forskolin.cdx
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1088

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C22H34O7

>  <MolWeight> (66)
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Forskolin

>  <Synonyms> (66)
Coleonol

>  <Target> (66)
cAMP

>  <Form> (66)
Free Base

>  <CAS> (66)
66575-29-9

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

$$$$
Pirfenidone.cdx
csChFnd80/12292211152D

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Pirfenidone

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N/A

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TGF-beta/Smad

>  <Form> (67)
Free Base

>  <CAS> (67)
53179-13-8

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

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S-Ruxolitinib.cdx
csChFnd80/12292211152D

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JAK

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941685-37-6

>  <URL> (68)
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TDZD-8.cdx
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>  <Mol_ID> (70)
1234

>  <Formula> (70)
C18H14N4O5S

>  <MolWeight> (70)
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>  <Cat> (70)
S1576

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Sulfasalazine (Azulfidine)

>  <Synonyms> (70)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (70)
COX,NF-¦ÊB

>  <Form> (70)
Free Base

>  <CAS> (70)
599-79-1

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

$$$$
Pifithrin-¦Á.cdx
csChFnd80/12292211152D

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1239

>  <Formula> (71)
C16H19BrN2OS

>  <MolWeight> (71)
367.30386

>  <Cat> (71)
S2929

>  <Name> (71)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (71)
N/A

>  <Target> (71)
p53

>  <Form> (71)
HBr

>  <CAS> (71)
63208-82-2

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

$$$$
aicar.cdx
csChFnd80/12292211152D

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1249

>  <Formula> (72)
C9H14N4O5

>  <MolWeight> (72)
258.23126

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S1802

>  <Name> (72)
AICAR (Acadesine)

>  <Synonyms> (72)
AICAR, AICA-riboside

>  <Target> (72)
AMPK

>  <Form> (72)
Free Base

>  <CAS> (72)
2627-69-2

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

$$$$
nifuroxazide.cdx
csChFnd80/12292211152D

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1358

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C12H9N3O5

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275.21696

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S4182

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Nifuroxazide

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N/A

>  <Target> (73)
STAT

>  <Form> (73)
Free Base

>  <CAS> (73)
965-52-6

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

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1453

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p53

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Free Base

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64984-31-2

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

$$$$
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M  END
>  <Mol_ID> (75)
1487

>  <Formula> (75)
C25H35ClN4O2S

>  <MolWeight> (75)
491.089

>  <Cat> (75)
S4900

>  <Name> (75)
Tenovin-6

>  <Synonyms> (75)
N/A

>  <Target> (75)
p53,Sirtuin

>  <Form> (75)
Free Base

>  <CAS> (75)
1011557-82-6

>  <URL> (75)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
R-Ruxolitinib.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (76)
1522

>  <Formula> (76)
C17H18N6

>  <MolWeight> (76)
306.36502

>  <Cat> (76)
S1378

>  <Name> (76)
Ruxolitinib (INCB018424)

>  <Synonyms> (76)
N/A

>  <Target> (76)
JAK

>  <Form> (76)
Free Base

>  <CAS> (76)
941678-49-5

>  <URL> (76)
http://www.selleckchem.com/products/INCB18424.html

$$$$
S1263.cdx
csChFnd80/12292211152D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (77)
1547

>  <Formula> (77)
C22H18Cl2N8

>  <MolWeight> (77)
465.33792

>  <Cat> (77)
S1263

>  <Name> (77)
CHIR-99021 (CT99021)

>  <Synonyms> (77)
N/A

>  <Target> (77)
GSK-3

>  <Form> (77)
Free Base

>  <CAS> (77)
252917-06-9

>  <URL> (77)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
S4747 Jervine.cdx
csChFnd80/12292211152D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (78)
1707

>  <Formula> (78)
C27H39NO3

>  <MolWeight> (78)
425.60346

>  <Cat> (78)
S4747

>  <Name> (78)
Jervine

>  <Synonyms> (78)
11-Ketocyclopamine

>  <Target> (78)
Hedgehog/Smoothened

>  <Form> (78)
Free Base

>  <CAS> (78)
469-59-0

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/12292211152D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (79)
1750

>  <Formula> (79)
C9H10O4

>  <MolWeight> (79)
182.1733

>  <Cat> (79)
S3630

>  <Name> (79)
Methyl Vanillate

>  <Synonyms> (79)
N/A

>  <Target> (79)
Wnt/¦Â-Catenin

>  <Form> (79)
free base

>  <CAS> (79)
3943-74-6

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

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (80)
1816

>  <Formula> (80)
C17H17N3Na2O8

>  <MolWeight> (80)
437.31172

>  <Cat> (80)
S3745

>  <Name> (80)
Balsalazide disodium

>  <Synonyms> (80)
N/A

>  <Target> (80)
Immunology & Inflammation related

>  <Form> (80)
disodium salt dihydrate

>  <CAS> (80)
150399-21-6

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

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/12292211152D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (81)
1884

>  <Formula> (81)
C21H20O12

>  <MolWeight> (81)
464.3763

>  <Cat> (81)
S3842

>  <Name> (81)
Isoquercitrin

>  <Synonyms> (81)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (81)
Wnt/¦Â-catenin

>  <Form> (81)
free base

>  <CAS> (81)
482-35-9

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

$$$$
LY2109761.cdx
csChFnd80/12292211152D

 33 38  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 19 14  1  0  0  0  0
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 22 23  1  0  0  0  0
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 27 24  1  0  0  0  0
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M  END
>  <Mol_ID> (82)
1974

>  <Formula> (82)
C26H27N5O2

>  <MolWeight> (82)
441.52488

>  <Cat> (82)
S2704

>  <Name> (82)
LY2109761

>  <Synonyms> (82)
N/A

>  <Target> (82)
TGF-beta/Smad

>  <Form> (82)
Free Base

>  <CAS> (82)
700874-71-1 

>  <URL> (82)
http://www.selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/12292211152D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  2  7  2  0  0  0  0
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 12 16  2  0  0  0  0
 20 21  2  0  0  0  0
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  9 30  1  0  0  0  0
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M  END
>  <Mol_ID> (83)
1975

>  <Formula> (83)
C23H17FN6O

>  <MolWeight> (83)
412.4190832

>  <Cat> (83)
S2788

>  <Name> (83)
Capmatinib (INCB28060)

>  <Synonyms> (83)
N/A

>  <Target> (83)
c-Met 

>  <Form> (83)
Free Base

>  <CAS> (83)
1029712-80-8

>  <URL> (83)
http://www.selleckchem.com/products/incb28060.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/12292211152D

 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> (84)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

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396129-53-6

>  <URL> (85)
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N/A

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Wnt/beta-catenin

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Free Base

>  <CAS> (86)
1118807-13-8

>  <URL> (86)
https://www.selleckchem.com/products/ky02111.html

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304909-07-7

>  <URL> (87)
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 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (88)
2020

>  <Formula> (88)
C16H14N4O2S

>  <MolWeight> (88)
326.37296

>  <Cat> (88)
S7195

>  <Name> (88)
RKI-1447

>  <Synonyms> (88)
N/A

>  <Target> (88)
ROCK

>  <Form> (88)
Free Base

>  <CAS> (88)
1342278-01-6

>  <URL> (88)
http://www.selleckchem.com/products/rki-1447.html

$$$$
Sodium valproate.cdx
csChFnd80/12292211152D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (89)
2238

>  <Formula> (89)
C8H15NaO2

>  <MolWeight> (89)
166.19327

>  <Cat> (89)
S1168

>  <Name> (89)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (89)
N/A 

>  <Target> (89)
GABA Receptor, HDAC

>  <CAS> (89)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/12292211152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (90)
2259

>  <Formula> (90)
C21H18O12

>  <MolWeight> (90)
462.36042

>  <Cat> (90)
S3810

>  <Name> (90)
Scutellarin

>  <Synonyms> (90)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (90)
Others

>  <Form> (90)
free base

>  <CAS> (90)
27740-01-8

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

$$$$
Tenovin-1.cdx
csChFnd80/12292211152D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (91)
2294

>  <Formula> (91)
C20H23N3O2S

>  <MolWeight> (91)
369.48052

>  <Cat> (91)
S8000

>  <Name> (91)
Tenovin-1

>  <Synonyms> (91)
N/A

>  <Target> (91)
p53

>  <Form> (91)
Free Base

>  <CAS> (91)
380315-80-0

>  <URL> (91)
http://www.selleckchem.com/products/tenovin-1.html

$$$$
Plerixafor.cdx
csChFnd80/12292211152D

 36 38  0  0  0  0  0  0  0  0999 V2000
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   15.8539    6.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (92)
2307

>  <Formula> (92)
C28H54N8

>  <MolWeight> (92)
502.78196

>  <Cat> (92)
S8030

>  <Name> (92)
Plerixafor

>  <Synonyms> (92)
N/A

>  <Target> (92)
CXCR

>  <Form> (92)
Free Base

>  <CAS> (92)
110078-46-1

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

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/12292211152D

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   12.9622    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0622    1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0622    3.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2622    3.6761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    4.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    0.3720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
  1  6  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
  9  2  1  0  0  0  0
  5 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
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 27 28  2  0  0  0  0
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  1 31  1  1  0  0  0
  2 32  1  1  0  0  0
  6 33  1  1  0  0  0
  9 33  1  1  0  0  0
M  END
>  <Mol_ID> (93)
2319

>  <Formula> (93)
C26H21N3O3

>  <MolWeight> (93)
423.46324

>  <Cat> (93)
S7086

>  <Name> (93)
IWR-1-endo

>  <Synonyms> (93)
IWR-1

>  <Target> (93)
Wnt/beta-catenin

>  <Form> (93)
Free Base

>  <CAS> (93)
1127442-82-3

>  <URL> (93)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/12292211152D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    3.8072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    3.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    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
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (94)
2325

>  <Formula> (94)
C8H5NO4S

>  <MolWeight> (94)
211.1946

>  <Cat> (94)
S7024

>  <Name> (94)
Stattic

>  <Synonyms> (94)
N/A

>  <Target> (94)
STAT

>  <Form> (94)
Free Base

>  <CAS> (94)
19983-44-9

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

$$$$
Zebularine.cdx
csChFnd80/12292211152D

 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
  4  5  1  1  0  0  0
  1  4  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 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  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (95)
2337

>  <Formula> (95)
C9H12N2O5

>  <MolWeight> (95)
228.20198

>  <Cat> (95)
S7113

>  <Name> (95)
Zebularine

>  <Synonyms> (95)
N/A

>  <Target> (95)
DNA Methyltransferase

>  <Form> (95)
Free Base

>  <CAS> (95)
654065

>  <URL> (95)
https://www.selleckchem.com/products/zebularine.html

$$$$
Sodium butyrate.cdx
csChFnd80/12292211152D

  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> (96)
2395

>  <Formula> (96)
C4H7NaO2

>  <MolWeight> (96)
110.08695

>  <Cat> (96)
S1999

>  <Name> (96)
Sodium butyrate

>  <Synonyms> (96)
Butyric acid sodium salt

>  <Target> (96)
HDAC

>  <Form> (96)
Sodium Salt

>  <CAS> (96)
156-54-7

>  <URL> (96)
http://www.selleckchem.com/products/Sodium-butyrate.html

$$$$
Itraconazole.cdx
csChFnd80/12292211152D

 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
   13.1467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    5.4045    4.8158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4045    3.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360    2.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    3.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.1146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3676    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0287    7.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.0571    9.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 11 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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 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> (97)
2407

>  <Formula> (97)
C35H38Cl2N8O4

>  <MolWeight> (97)
705.63342

>  <Cat> (97)
S2476

>  <Name> (97)
Itraconazole (Sporanox)

>  <Synonyms> (97)
Sporanox

>  <Target> (97)
P450 (e.g. CYP17)

>  <Form> (97)
Free Base

>  <CAS> (97)
84625-61-6

>  <URL> (97)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

$$$$
3.cdx
csChFnd80/12292211152D

 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
   12.6374    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9398    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0325    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7325    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1325    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8325    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (98)
2421

>  <Formula> (98)
C26H24F4N6O

>  <MolWeight> (98)
512.5019728

>  <Cat> (98)
S2157

>  <Name> (98)
Taladegib (LY2940680)

>  <Synonyms> (98)
N/A

>  <Target> (98)
Hedgehog, Smoothened

>  <Form> (98)
Free Base

>  <CAS> (98)
1258861-20-9

>  <URL> (98)
http://www.selleckchem.com/products/ly2940680.html

$$$$
Wnt-C59 (C59).cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (99)
2445

>  <Formula> (99)
C25H21N3O

>  <MolWeight> (99)
379.45374

>  <Cat> (99)
S7037

>  <Name> (99)
Wnt-C59 (C59)

>  <Synonyms> (99)
N/A

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

>  <Form> (99)
Free Base

>  <CAS> (99)
1243243-89-1

>  <URL> (99)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (100)
2469

>  <Formula> (100)
C22H28FNa2O8P

>  <MolWeight> (100)
516.4046242

>  <Cat> (100)
S4028

>  <Name> (100)
Dexamethasone Sodium Phosphate

>  <Synonyms> (100)
N/A

>  <Target> (100)
IL Receptor

>  <Form> (100)
Disodium salt

>  <CAS> (100)
55203-24-2

>  <URL> (100)
http://www.selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/12292211152D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  CFW  36 BOND_GSTEREO 5
M  END
>  <Mol_ID> (101)
2486

>  <Formula> (101)
C28H29Cl2N3OS

>  <MolWeight> (101)
526.52036

>  <Cat> (101)
S7779

>  <Name> (101)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (101)
N/A

>  <Target> (101)
Hedgehog/Smoothened

>  <Form> (101)
Hydrochloride

>  <CAS> (101)
912545-86-9

>  <URL> (101)
http://www.selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (102)
2492

>  <Formula> (102)
C28H32O6

>  <MolWeight> (102)
464.55008

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>  <Name> (102)
FLLL32

>  <Synonyms> (102)
N/A

>  <Target> (102)
JAK

>  <Form> (102)
Free Base

>  <CAS> (102)
1226895-15-3

>  <URL> (102)
http://www.selleckchem.com/products/flll32.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (103)
2499

>  <Formula> (103)
C11H10N2O2S

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234.2743

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S7914

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Isoxazole 9 (ISX-9)

>  <Synonyms> (103)
N/A

>  <Target> (103)
Others

>  <Form> (103)
Free Base

>  <CAS> (103)
832115-62-5

>  <URL> (103)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
P7C3.cdx
csChFnd80/12292211152D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
2517

>  <Formula> (104)
C21H18Br2N2O

>  <MolWeight> (104)
474.18842

>  <Cat> (104)
S7968

>  <Name> (104)
P7C3

>  <Synonyms> (104)
N/A

>  <Target> (104)
NAMPT

>  <Form> (104)
Free Base

>  <CAS> (104)
301353-96-8

>  <URL> (104)
http://www.selleckchem.com/products/p7c3.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/12292211152D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (105)
2520

>  <Formula> (105)
C18H12BrN3O3

>  <MolWeight> (105)
398.21018

>  <Cat> (105)
S7915

>  <Name> (105)
BIO-acetoxime

>  <Synonyms> (105)
N/A

>  <Target> (105)
GSK-3

>  <Form> (105)
Free Base

>  <CAS> (105)
667463-85-6

>  <URL> (105)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/12292211152D

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>  <Mol_ID> (106)
2529

>  <Formula> (106)
C21H25ClN2O2

>  <MolWeight> (106)
372.8884

>  <Cat> (106)
S8483

>  <Name> (106)
CBL0137(CBL-0137)

>  <Synonyms> (106)
CBLC137, Curaxin 137

>  <Target> (106)
FACT,p53,NF-¦ÊB 

>  <Form> (106)
hydrochloride

>  <CAS> (106)
1197397-89-9

>  <URL> (106)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (107)
2535

>  <Formula> (107)
C8H16O2

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144.21144

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S3944

>  <Name> (107)
Valproic acid

>  <Synonyms> (107)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (107)
HDAC1

>  <Form> (107)
free base

>  <CAS> (107)
99-66-1

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

$$$$
AZD1080.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (108)
2571

>  <Formula> (108)
C19H18N4O2

>  <MolWeight> (108)
334.37182

>  <Cat> (108)
S7145

>  <Name> (108)
AZD1080

>  <Synonyms> (108)
N/A

>  <Target> (108)
GSK-3

>  <Form> (108)
Free Base

>  <CAS> (108)
612487-72-6

>  <URL> (108)
http://www.selleckchem.com/products/azd1080.html

$$$$
NSC319726.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (109)
2573

>  <Formula> (109)
C11H14N4S

>  <MolWeight> (109)
234.32066

>  <Cat> (109)
S7149

>  <Name> (109)
NSC319726

>  <Synonyms> (109)
N/A

>  <Target> (109)
p53

>  <Form> (109)
Free Base

>  <CAS> (109)
71555-25-4

>  <URL> (109)
http://www.selleckchem.com/products/nsc319726.html

$$$$
purmorphamine.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (110)
2580

>  <Formula> (110)
C31H32N6O2

>  <MolWeight> (110)
520.62478

>  <Cat> (110)
S3042

>  <Name> (110)
Purmorphamine

>  <Synonyms> (110)
N/A

>  <Target> (110)
Hedgehog/Smoothened

>  <Form> (110)
Free Base

>  <CAS> (110)
483367-10-8

>  <URL> (110)
http://www.selleckchem.com/products/purmorphamine.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/12292211152D

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>  <Mol_ID> (111)
2588

>  <Formula> (111)
C16H10BrN3O2

>  <MolWeight> (111)
356.1735

>  <Cat> (111)
S7198

>  <Name> (111)
BIO

>  <Synonyms> (111)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (111)
GSK-3

>  <Form> (111)
Free Base

>  <CAS> (111)
667463-62-9

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

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/12292211152D

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>  <Mol_ID> (112)
2592

>  <Formula> (112)
C17H13N5

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287.31862

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S7223

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RepSox

>  <Synonyms> (112)
E-616452, SJN 2511

>  <Target> (112)
TGF-beta/Smad

>  <Form> (112)
Free Base

>  <CAS> (112)
446859-33-2

>  <URL> (112)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (113)
2595

>  <Formula> (113)
C21H23N7O3S

>  <MolWeight> (113)
453.51742

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S7253

>  <Name> (113)
AZD2858

>  <Synonyms> (113)
N/A

>  <Target> (113)
GSK-3

>  <Form> (113)
Free Base

>  <CAS> (113)
486424-20-8

>  <URL> (113)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (114)
2597

>  <Formula> (114)
C23H26ClNO

>  <MolWeight> (114)
367.91164

>  <Cat> (114)
S8004

>  <Name> (114)
ZM 39923 HCl

>  <Synonyms> (114)
N/A

>  <Target> (114)
JAK

>  <Form> (114)
HCl

>  <CAS> (114)
1021868-92-7

>  <URL> (114)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/12292211152D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (115)
2613

>  <Formula> (115)
C24H27Cl2N5O

>  <MolWeight> (115)
472.41008

>  <Cat> (115)
S7306

>  <Name> (115)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (115)
BML-275,Compound C

>  <Target> (115)
AMPK

>  <Form> (115)
Dihydrochloride

>  <CAS> (115)
1219168-18-9

>  <URL> (115)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/12292211152D

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>  <Name> (116)
Thioridazine hydrochloride

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Aldazine, Mellaril

>  <Target> (116)
Others

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hydrochloride 

>  <CAS> (116)
130-61-0

>  <URL> (116)
http://selleckchem.com/products/thioridazine-hydrochloride.html

$$$$
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BMS-833923 (XL139)

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XL139

>  <Target> (117)
Hedgehog/Smoothened

>  <Form> (117)
Free Base

>  <CAS> (117)
1059734-66-5

>  <URL> (117)
http://www.selleckchem.com/products/bms-833923.html

$$$$
XL019.cdx
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C25H28N6O2

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444.52882

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XL019

>  <Synonyms> (118)
N/A

>  <Target> (118)
JAK

>  <Form> (118)
Free Base

>  <CAS> (118)
945755-56-6

>  <URL> (118)
http://www.selleckchem.com/products/xl019.html

$$$$
Pacritinib (SB1518).cdx
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>  <Name> (119)
Pacritinib (SB1518)

>  <Synonyms> (119)
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>  <Target> (119)
JAK

>  <Form> (119)
Free Base

>  <CAS> (119)
937272-79-2

>  <URL> (119)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
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>  <Mol_ID> (120)
2702

>  <Formula> (120)
C23H20N6O

>  <MolWeight> (120)
396.4445

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S7143

>  <Name> (120)
LGK-974

>  <Synonyms> (120)
N/A

>  <Target> (120)
Wnt/beta-catenin

>  <Form> (120)
Free Base

>  <CAS> (120)
1243244-14-5

>  <URL> (120)
http://www.selleckchem.com/products/lgk-974.html

$$$$
LM-3096 IWP L6.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (121)
2708

>  <Formula> (121)
C25H20N4O2S2

>  <MolWeight> (121)
472.5819

>  <Cat> (121)
S7301

>  <Name> (121)
IWP L6

>  <Synonyms> (121)
Porcn Inhibitor III

>  <Target> (121)
Wnt/beta-catenin

>  <Form> (121)
Free Base

>  <CAS> (121)
1427782-89-5

>  <URL> (121)
http://www.selleckchem.com/products/iwp-l6.html

$$$$
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>  <Mol_ID> (122)
2712

>  <Formula> (122)
C12H12N4O4S

>  <MolWeight> (122)
308.31308

>  <Cat> (122)
S7435

>  <Name> (122)
AR-A014418

>  <Synonyms> (122)
GSK-3¦Â Inhibitor VIII

>  <Target> (122)
GSK-3

>  <Form> (122)
Free Base

>  <CAS> (122)
487021-52-3

>  <URL> (122)
http://www.selleckchem.com/products/ar-a014418.html

$$$$
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>  <Mol_ID> (123)
2713

>  <Formula> (123)
C20H20N2O4

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K02288

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N/A

>  <Target> (123)
TGF-beta/Smad

>  <Form> (123)
Free Base

>  <CAS> (123)
1431985-92-0

>  <URL> (123)
http://www.selleckchem.com/products/k02288.html

$$$$
FLI-06.cdx
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2719

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N/A

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299257

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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> (126)
http://www.selleckchem.com/products/ldn-193189-HCl.html

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>  <Target> (138)
PKC

>  <Form> (138)
Free Base

>  <CAS> (138)
136194-77-9

>  <URL> (138)
http://www.selleckchem.com/products/go6976.html

$$$$
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>  <Mol_ID> (139)
2834

>  <Formula> (139)
C22H20FN3O2

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N/A

>  <Target> (139)
GSK-3

>  <Form> (139)
Free Base

>  <CAS> (139)
1129669-05-1

>  <URL> (139)
http://www.selleckchem.com/products/im-12.html

$$$$
filgotinib.cdx
csChFnd80/12292211152D

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2852

>  <Formula> (140)
C21H23N5O3S

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S7605

>  <Name> (140)
Filgotinib£¨GLPG0643)

>  <Synonyms> (140)
N/A

>  <Target> (140)
JAK

>  <Form> (140)
Free Base

>  <CAS> (140)
1206161-97-8

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

$$$$
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csChFnd80/12292211152D

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>  <Mol_ID> (141)
2856

>  <Formula> (141)
C21H22N6O

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>  <Cat> (141)
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>  <Name> (141)
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>  <Synonyms> (141)
N/A

>  <Target> (141)
Hedgehog/Smoothened

>  <Form> (141)
Free Base

>  <CAS> (141)
1095173-27-5

>  <URL> (141)
http://www.selleckchem.com/products/glasdegib-pf-04449913.html

$$$$
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TGF-beta/Smad

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1352608-82-2

>  <URL> (142)
http://www.selleckchem.com/products/ew-7197.html

$$$$
Kartogenin.cdx
csChFnd80/12292211152D

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C20H15NO3

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317.338

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Kartogenin

>  <Synonyms> (143)
N/A

>  <Target> (143)
TGF-beta/Smad

>  <Form> (143)
Free Base

>  <CAS> (143)
4727-31-5

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

$$$$
Cerdulatinib (PRT-062070).cdx
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2890

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C20H28ClN7O3S

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S7634

>  <Name> (144)
Cerdulatinib (PRT062070, PRT2070)

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N/A

>  <Target> (144)
JAK

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Hydrochloride

>  <CAS> (144)
1369761-01-2

>  <URL> (144)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
Reversine.cdx
csChFnd80/12292211152D

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C21H27N7O

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Reversine

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N/A

>  <Target> (145)
Adenosine Receptor

>  <Form> (145)
Free Base

>  <CAS> (145)
656820-32-5

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

$$$$
AT13148.cdx
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Mdm2

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1303607-60-4

>  <URL> (151)
http://www.selleckchem.com/products/mi-773-sar405838.html

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2990

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C25H29N3O3

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LDN-214117

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TGF-beta/Smad

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Free Base

>  <CAS> (152)
1627503-67-6

>  <URL> (152)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
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3019

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C24H25N5O

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S7840

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Dorsomorphin (Compound C)

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>  <Target> (153)
AMPK

>  <Form> (153)
Free Base

>  <CAS> (153)
866405-64-3

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

$$$$
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C14H8O4

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240.21092

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Napabucasin

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N/A

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STAT

>  <Form> (154)
Free Base

>  <CAS> (154)
83280-65-3

>  <URL> (154)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
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M  END
>  <Mol_ID> (155)
3033

>  <Formula> (155)
C18H22N4O2

>  <MolWeight> (155)
326.39288

>  <Cat> (155)
S7650

>  <Name> (155)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (155)
N/A

>  <Target> (155)
JAK

>  <Form> (155)
Free Base

>  <CAS> (155)
944118-01-8

>  <URL> (155)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
SW033291-1.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (156)
3053

>  <Formula> (156)
C21H20N2OS3

>  <MolWeight> (156)
412.5913

>  <Cat> (156)
S7900

>  <Name> (156)
SW033291

>  <Synonyms> (156)
N/A

>  <Target> (156)
Dehydrogenase

>  <Form> (156)
Free Base

>  <CAS> (156)
459147-39-8

>  <URL> (156)
http://www.selleckchem.com/products/sw033291.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/12292211152D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
3057

>  <Formula> (157)
C18H19F3N6O

>  <MolWeight> (157)
392.3782696

>  <Cat> (157)
S7541

>  <Name> (157)
Decernotinib (VX-509)

>  <Synonyms> (157)
N/A

>  <Target> (157)
JAK

>  <Form> (157)
Free Base

>  <CAS> (157)
944842-54-0

>  <URL> (157)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/12292211152D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (158)
3069

>  <Formula> (158)
C15H23ClFN3O4S

>  <MolWeight> (158)
395.8772232

>  <Cat> (158)
S7995

>  <Name> (158)
Ripasudil (K-115)

>  <Synonyms> (158)
N/A

>  <Target> (158)
ROCK

>  <Form> (158)
Hydrochloride dihydrate

>  <CAS> (158)
887375-67-9

>  <URL> (158)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
NSC59984.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (159)
3075

>  <Formula> (159)
C12H15N3O4

>  <MolWeight> (159)
265.2652

>  <Cat> (159)
S8106

>  <Name> (159)
NSC59984

>  <Synonyms> (159)
N/A

>  <Target> (159)
p53

>  <Form> (159)
Free Base

>  <CAS> (159)
803647-40-7

>  <URL> (159)
http://www.selleckchem.com/products/nsc59984.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/12292211152D

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M  END
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3080

>  <Formula> (160)
C26H24N6O2

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>  <Name> (160)
KD025 (SLx-2119)

>  <Synonyms> (160)
N/A

>  <Target> (160)
ROCK

>  <Form> (160)
Free Base

>  <CAS> (160)
911417-87-3

>  <URL> (160)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (161)
3086

>  <Formula> (161)
C19H14O4

>  <MolWeight> (161)
306.31206

>  <Cat> (161)
S7951

>  <Name> (161)
STA-21

>  <Synonyms> (161)
N/A

>  <Target> (161)
STAT

>  <Form> (161)
Free Base

>  <CAS> (161)
111540-00-2

>  <URL> (161)
http://www.selleckchem.com/products/sta-21.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (162)
3098

>  <Formula> (162)
C19H19ClN4O3

>  <MolWeight> (162)
386.83216

>  <Cat> (162)
S8178

>  <Name> (162)
Wnt agonist 1

>  <Synonyms> (162)
N/A

>  <Target> (162)
Wnt/beta-catenin

>  <Form> (162)
Hydrochloride

>  <CAS> (162)
853220-52-7(free-base)

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

$$$$
NSC348884.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (163)
3107

>  <Formula> (163)
C38H40N10

>  <MolWeight> (163)
636.7912

>  <Cat> (163)
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>  <Name> (163)
NSC348884

>  <Synonyms> (163)
N/A

>  <Target> (163)
p53

>  <Form> (163)
Free Base

>  <CAS> (163)
81624-55-7

>  <URL> (163)
http://www.selleckchem.com/products/nsc348884.html

$$$$
Oclacitinib maleate.cdx
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3108

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C19H27N5O6S

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Free Base

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1640292-55-2

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

$$$$
Halofuginone.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (165)
3117

>  <Formula> (165)
C16H17BrClN3O3

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Halofuginone

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N/A

>  <Target> (165)
Others

>  <Form> (165)
Free Base

>  <CAS> (165)
55837-20-2

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

$$$$
AS1842856.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (166)
3118

>  <Formula> (166)
C18H22FN3O3

>  <MolWeight> (166)
347.3839832

>  <Cat> (166)
S8222

>  <Name> (166)
AS1842856

>  <Synonyms> (166)
N/A

>  <Target> (166)
Others

>  <Form> (166)
Free Base

>  <CAS> (166)
836620-48-5

>  <URL> (166)
http://www.selleckchem.com/products/as1842856.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/12292211152D

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>  <Mol_ID> (167)
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C27H25F3N8O2

>  <MolWeight> (167)
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>  <Cat> (167)
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>  <Name> (167)
Pluripotin (SC1)

>  <Synonyms> (167)
N/A

>  <Target> (167)
ERK

>  <Form> (167)
Free Base

>  <CAS> (167)
839707-37-8

>  <URL> (167)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$
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M  END
>  <Mol_ID> (168)
3180

>  <Formula> (168)
C15H15NO5S2

>  <MolWeight> (168)
353.4133

>  <Cat> (168)
S8280

>  <Name> (168)
IMR-1

>  <Synonyms> (168)
N/A

>  <Target> (168)
Gamma-secretase

>  <Form> (168)
Free Base

>  <CAS> (168)
310456-65-6

>  <URL> (168)
http://www.selleckchem.com/products/imr-1.html

$$$$
IQ-1.cdx
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>  <Mol_ID> (169)
3181

>  <Formula> (169)
C21H22N4O2

>  <MolWeight> (169)
362.42498

>  <Cat> (169)
S8248

>  <Name> (169)
IQ-1

>  <Synonyms> (169)
N/A

>  <Target> (169)
Wnt/beta-catenin

>  <Form> (169)
Free Base

>  <CAS> (169)
331001-62-8

>  <URL> (169)
http://www.selleckchem.com/products/iq-1.html

$$$$
PRIMA-1.cdx
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>  <Mol_ID> (170)
3210

>  <Formula> (170)
C9H15NO3

>  <MolWeight> (170)
185.2203

>  <Cat> (170)
S7723

>  <Name> (170)
PRIMA-1

>  <Synonyms> (170)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (170)
p53

>  <Form> (170)
Free Base

>  <CAS> (170)
5608-24-2

>  <URL> (170)
http://www.selleckchem.com/products/prima-1.html

$$$$
SIS3.cdx
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>  <Mol_ID> (171)
3215

>  <Formula> (171)
C28H28ClN3O3

>  <MolWeight> (171)
489.99322

>  <Cat> (171)
S7959

>  <Name> (171)
SIS3 HCl

>  <Synonyms> (171)
N/A

>  <Target> (171)
TGF-beta/Smad

>  <Form> (171)
hydrochloride

>  <CAS> (171)
521984-48-5

>  <URL> (171)
http://www.selleckchem.com/products/sis3.html

$$$$
MK-4101.cdx
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>  <Mol_ID> (172)
3216

>  <Formula> (172)
C24H24F5N5O

>  <MolWeight> (172)
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>  <Cat> (172)
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>  <Name> (172)
MK-4101

>  <Synonyms> (172)
N/A

>  <Target> (172)
Hedgehog/Smoothened

>  <Form> (172)
Free Base

>  <CAS> (172)
935273-79-3

>  <URL> (172)
http://www.selleckchem.com/products/mk-4101.html

$$$$
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M  END
>  <Mol_ID> (173)
3226

>  <Formula> (173)
C17H11KN2O6S2

>  <MolWeight> (173)
442.50734

>  <Cat> (173)
S8327

>  <Name> (173)
KYA1797K

>  <Synonyms> (173)
N/A

>  <Target> (173)
Wnt/beta-catenin

>  <Form> (173)
potassium salt

>  <CAS> (173)
1956356-56-1

>  <URL> (173)
http://www.selleckchem.com/products/kya1797k.html

$$$$
BMS-911543.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (174)
3239

>  <Formula> (174)
C23H28N8O

>  <MolWeight> (174)
432.52142

>  <Cat> (174)
S7144

>  <Name> (174)
BMS-911543

>  <Synonyms> (174)
N/A

>  <Target> (174)
JAK

>  <Form> (174)
Free Base

>  <CAS> (174)
1271022-90-2

>  <URL> (174)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Alantolactone.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (175)
3254

>  <Formula> (175)
C15H20O2

>  <MolWeight> (175)
232.3181

>  <Cat> (175)
S8318

>  <Name> (175)
Alantolactone

>  <Synonyms> (175)
helenin, helenine, Eupatal

>  <Target> (175)
Others

>  <Form> (175)
Free Base

>  <CAS> (175)
546-43-0

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

$$$$
SKL2001.cdx
csChFnd80/12292211152D

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>  <Mol_ID> (176)
3256

>  <Formula> (176)
C14H14N4O3

>  <MolWeight> (176)
286.28596

>  <Cat> (176)
S8320

>  <Name> (176)
SKL2001

>  <Synonyms> (176)
N/A

>  <Target> (176)
Wnt/beta-catenin

>  <Form> (176)
Free Base

>  <CAS> (176)
909089-13-0

>  <URL> (176)
http://www.selleckchem.com/products/skl2001.html

$$$$
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 18 13  1  0  0  0  0
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 41 37  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (177)
3266

>  <Formula> (177)
C29H31ClN8O5

>  <MolWeight> (177)
607.06004

>  <Cat> (177)
S7687

>  <Name> (177)
GSK269962 HCl

>  <Synonyms> (177)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (177)
ROCK

>  <Form> (177)
hydrochloride

>  <CAS> (177)
850664-21-0(free base)

>  <URL> (177)
http://www.selleckchem.com/products/gsk269962.html

$$$$
HPI-4 (Ciliobrevin A).cdx
csChFnd80/12292211152D

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 17 23  1  0  0  0  0
 14 24  3  0  0  0  0
M  END
>  <Mol_ID> (178)
3274

>  <Formula> (178)
C17H9Cl2N3O2

>  <MolWeight> (178)
358.17826

>  <Cat> (178)
S8249

>  <Name> (178)
HPI-4 (Ciliobrevin A)

>  <Synonyms> (178)
Hedgehog Pathway Inhibitor 4

>  <Target> (178)
Hedgehog/Smoothened

>  <Form> (178)
Free Base

>  <CAS> (178)
302803-72-1

>  <URL> (178)
http://www.selleckchem.com/products/hpi-4-ciliobrevin-a.html

$$$$
XMU-MP-1.cdx
csChFnd80/12292211152D

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  3  4  2  0  0  0  0
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 10 14  2  0  0  0  0
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M  END
>  <Mol_ID> (179)
3292

>  <Formula> (179)
C17H16N6O3S2

>  <MolWeight> (179)
416.47734

>  <Cat> (179)
S8334

>  <Name> (179)
XMU-MP-1

>  <Synonyms> (179)
N/A

>  <Target> (179)
Hippo pathway

>  <Form> (179)
Free Base

>  <URL> (179)
http://www.selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/12292211152D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (180)
3293

>  <Formula> (180)
C16H18Cl2N4O

>  <MolWeight> (180)
353.24632

>  <Cat> (180)
S7935

>  <Name> (180)
Y-39983 HCl

>  <Synonyms> (180)
Y-33075 HCl

>  <Target> (180)
ROCK

>  <Form> (180)
dihydrochloride

>  <CAS> (180)
173897-44-4

>  <URL> (180)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/12292211152D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (181)
3294

>  <Formula> (181)
C10H17NO3

>  <MolWeight> (181)
199.24688

>  <Cat> (181)
S7724

>  <Name> (181)
APR-246 (PRIMA-1MET)

>  <Synonyms> (181)
N/A

>  <Target> (181)
p53

>  <Form> (181)
Free Base

>  <CAS> (181)
5291-32-7

>  <URL> (181)
http://www.selleckchem.com/products/apr-246-prima-1met.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/12292211152D

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ROCK

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Free Base

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557782-81-7

>  <URL> (182)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

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Gamma-secretase

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Free Base

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1421438-81-4

>  <URL> (183)
http://www.selleckchem.com/products/ly3039478.html

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113906-27-7

>  <URL> (185)
http://www.selleckchem.com/products/pnu-74654.html

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>  <Mol_ID> (186)
3329

>  <Formula> (186)
C29H28F5N3O5S

>  <MolWeight> (186)
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>  <Cat> (186)
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SH5-07 (SH-5-07)

>  <Synonyms> (186)
N/A

>  <Target> (186)
STAT

>  <Form> (186)
Free Base

>  <CAS> (186)
1456632-41-9

>  <URL> (186)
http://www.selleckchem.com/products/sh5-07.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (187)
3344

>  <Formula> (187)
C19H15N3O2

>  <MolWeight> (187)
317.3413

>  <Cat> (187)
S7954

>  <Name> (187)
CP21R7 (CP21)

>  <Synonyms> (187)
N/A

>  <Target> (187)
Wnt/beta-catenin

>  <Form> (187)
Free Base

>  <CAS> (187)
125314-13-8

>  <URL> (187)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/12292211152D

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A   23
xH2O
M  END
>  <Mol_ID> (188)
3349

>  <Formula> (188)
C14H18ClN3O3RS

>  <MolWeight> (188)
343.82902

>  <Cat> (188)
S8208

>  <Name> (188)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (188)
N/A

>  <Target> (188)
ROCK

>  <Form> (188)
hydrochloride

>  <CAS> (188)
155558-32-0 (HCl salt)

>  <URL> (188)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
LF3.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (189)
3363

>  <Formula> (189)
C20H24N4O2S2

>  <MolWeight> (189)
416.56016

>  <Cat> (189)
S8474

>  <Name> (189)
LF3

>  <Synonyms> (189)
N/A

>  <Target> (189)
Wnt/beta-catenin

>  <Form> (189)
Free Base

>  <CAS> (189)
664969-54-4

>  <URL> (189)
http://www.selleckchem.com/products/lf3.html

$$$$
HJC0152.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (190)
3423

>  <Formula> (190)
C15H14Cl3N3O4

>  <MolWeight> (190)
406.64836

>  <Cat> (190)
S8561

>  <Name> (190)
HJC0152

>  <Synonyms> (190)
N/A

>  <Target> (190)
STAT3

>  <Form> (190)
hydrochloride

>  <CAS> (190)
1420290-99-8

>  <URL> (190)
http://www.selleckchem.com/products/hjc0152.html

$$$$
LYN-1604.cdx
csChFnd80/12292211152D

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3462

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LYN-1604

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N/A

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ULK1

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dihydrochloride

>  <CAS> (191)
2088939-99-3(free base)

>  <URL> (191)
http://www.selleckchem.com/products/lyn-1604.html

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N/A

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Porcupine

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free base

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1243245-18-2

>  <URL> (192)
http://www.selleckchem.com/products/gnf-6231.html

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p53 mutants

>  <Form> (193)
free base

>  <CAS> (193)
1039455-84-9

>  <URL> (193)
http://www.selleckchem.com/products/coti-2.html

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JAK3

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free base

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No

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http://www.selleckchem.com/products/fm-381.html

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iCRT3

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Wnt/¦Â-catenin

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free base

>  <CAS> (195)
901751-47-1

>  <URL> (195)
http://www.selleckchem.com/products/icrt3.html

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>  <Mol_ID> (196)
3480

>  <Formula> (196)
C27H21NO5S

>  <MolWeight> (196)
471.52434

>  <Cat> (196)
S8605

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C188-9

>  <Synonyms> (196)
N/A

>  <Target> (196)
STAT3

>  <Form> (196)
free base

>  <CAS> (196)
432001-19-9

>  <URL> (196)
http://www.selleckchem.com/products/c188-9.html

$$$$
CA3.cdx
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>  <Mol_ID> (197)
3504

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C23H27N3O5S2

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CA3

>  <Synonyms> (197)
N/A

>  <Target> (197)
YAP/TEAD interaction

>  <Form> (197)
free base

>  <CAS> (197)
300802-28-2

>  <URL> (197)
http://www.selleckchem.com/products/ca3.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/12292211152D

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3532

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C6H6Na3O9P

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S5115

>  <Name> (198)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (198)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (198)
Others

>  <Form> (198)
sodium salt

>  <CAS> (198)
66170-10-3

>  <URL> (198)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

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M  END
>  <Mol_ID> (199)
3535

>  <Formula> (199)
C15H19N5O

>  <MolWeight> (199)
285.34426

>  <Cat> (199)
S8538

>  <Name> (199)
PF-06651600

>  <Synonyms> (199)
N/A

>  <Target> (199)
JAK3 

>  <Form> (199)
free base

>  <CAS> (199)
1792180-81-4

>  <URL> (199)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (200)
3560

>  <Formula> (200)
C15H10O5

>  <MolWeight> (200)
270.2369

>  <Cat> (200)
S8696

>  <Name> (200)
2-D08
2-D08

>  <Synonyms> (200)
2',3',4'-trihydroxy flavone

>  <Target> (200)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (200)
free base

>  <CAS> (200)
144707-18-6

>  <URL> (200)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (201)
3588

>  <Formula> (201)
C26H23F4N9O

>  <MolWeight> (201)
553.5141328

>  <Cat> (201)
S7812

>  <Name> (201)
Itacitinib (INCB39110)

>  <Synonyms> (201)
N/A

>  <Target> (201)
JAK

>  <Form> (201)
free base

>  <CAS> (201)
1334298-90-6

>  <URL> (201)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
IWP-O1.cdx
csChFnd80/12292211152D

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M  END
>  <Mol_ID> (202)
3591

>  <Formula> (202)
C26H20N6O

>  <MolWeight> (202)
432.4766

>  <Cat> (202)
S8645

>  <Name> (202)
IWP-O1

>  <Synonyms> (202)
N/A

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

>  <Form> (202)
free base

>  <CAS> (202)
2074607-48-8

>  <URL> (202)
http://selleckchem.com/products/iwp-O1.html

$$$$
AS1517499.cdx
csChFnd80/12292211152D

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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 20  1  0  0  0  0
M  END
>  <Mol_ID> (203)
3636

>  <Formula> (203)
C20H20ClN5O2

>  <MolWeight> (203)
397.8581

>  <Cat> (203)
S8685

>  <Name> (203)
AS1517499

>  <Synonyms> (203)
N/A

>  <Target> (203)
STAT

>  <Form> (203)
free base

>  <CAS> (203)
919486-40-1

>  <URL> (203)
http://selleckchem.com/products/as1517499.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/12292211152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (204)
3704

>  <Formula> (204)
C17H21N6O4P

>  <MolWeight> (204)
404.360201

>  <Cat> (204)
S5243

>  <Name> (204)
Ruxolitinib Phosphate

>  <Synonyms> (204)
INCB018424, INC424

>  <Target> (204)
JAK

>  <Form> (204)
phosphate 

>  <CAS> (204)
1092939-17-7

>  <URL> (204)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
PK11007.cdx
csChFnd80/12292211152D

 14 14  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 N   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
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Mol_ID> (205)
3774

>  <Formula> (205)
C6H5ClN2O4S

>  <MolWeight> (205)
236.6329

>  <Cat> (205)
S8728

>  <Name> (205)
PK11007

>  <Synonyms> (205)
N/A

>  <Target> (205)
p53

>  <Form> (205)
free base

>  <CAS> (205)
38275-34-2

>  <URL> (205)
http://selleckchem.com/products/pk11007.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/12292211152D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (206)
3793

>  <Formula> (206)
C3H8NO6P

>  <MolWeight> (206)
185.072481

>  <Cat> (206)
S5137

>  <Name> (206)
O-Phospho-L-serine

>  <Synonyms> (206)
Dexfosfoserine

>  <Target> (206)
GluR

>  <Form> (206)
free base

>  <CAS> (206)
407-41-0

>  <URL> (206)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/12292211152D

 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
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (207)
3855

>  <Formula> (207)
C8H6BrN

>  <MolWeight> (207)
196.04394

>  <Cat> (207)
S5439

>  <Name> (207)
5-Bromoindole

>  <Synonyms> (207)
N/A

>  <Target> (207)
GSK-3

>  <Form> (207)
free base

>  <CAS> (207)
10075-50-0

>  <URL> (207)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/12292211152D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (208)
3913

>  <Formula> (208)
C49H76O20

>  <MolWeight> (208)
985.11574

>  <Cat> (208)
S5554

>  <Name> (208)
Lanatoside C

>  <Synonyms> (208)
N/A

>  <Target> (208)
ATPase

>  <Form> (208)
free base

>  <CAS> (208)
17575-22-3

>  <URL> (208)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5588 Creatine.cdx
csChFnd80/12292211152D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
3935

>  <Formula> (209)
C4H9N3O2

>  <MolWeight> (209)
131.13316

>  <Cat> (209)
S5588

>  <Name> (209)
Creatine

>  <Synonyms> (209)
Methylguanidoacetic acid

>  <Target> (209)
Others

>  <Form> (209)
free base

>  <CAS> (209)
57-00-1

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

$$$$
S9416 Triptonide.cdx
csChFnd80/12292211152D

 27 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (210)
4086

>  <Formula> (210)
C20H22O6

>  <MolWeight> (210)
358.38508

>  <Cat> (210)
S9416

>  <Name> (210)
Triptonide

>  <Form> (210)
free base

>  <CAS> (210)
38647-11-9

$$$$

csChFnd80/12292211152D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (211)
4119

>  <Formula> (211)
C10H14N4O2

>  <MolWeight> (211)
222.24376

>  <Cat> (211)
S5836

>  <Name> (211)
IBMX

>  <Synonyms> (211)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (211)
PDE

>  <Form> (211)
Free Base

>  <CAS> (211)
28822-58-4

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

$$$$

csChFnd80/12292211152D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (212)
4146

>  <Formula> (212)
C6H6Br6

>  <MolWeight> (212)
557.53584

>  <Cat> (212)
S5902

>  <Name> (212)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (212)
NSC7908

>  <Target> (212)
JAK

>  <Form> (212)
Free Base

>  <CAS> (212)
1837-91-8

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

$$$$

csChFnd80/12292211152D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (213)
4147

>  <Formula> (213)
C16H15N3O3

>  <MolWeight> (213)
297.3086

>  <Cat> (213)
S5903

>  <Name> (213)
JANEX-1

>  <Synonyms> (213)
WHI-P131

>  <Target> (213)
JAK

>  <Form> (213)
Free Base

>  <CAS> (213)
202475-60-3

>  <URL> (213)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/12292211152D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    0.0456    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    8.3968    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (214)
4148

>  <Formula> (214)
C16H13Br2N3O3

>  <MolWeight> (214)
455.10072

>  <Cat> (214)
S5904

>  <Name> (214)
WHI-P97

>  <Synonyms> (214)
N/A

>  <Target> (214)
JAK

>  <Form> (214)
Free Base

>  <CAS> (214)
211555-05-4

>  <URL> (214)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/12292211152D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    5.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4046    3.9712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4430    5.1038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1206    5.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    5.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1206    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7579    1.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704    3.9407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    5.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (215)
4159

>  <Formula> (215)
C22H23N5O2

>  <MolWeight> (215)
389.45032

>  <Cat> (215)
S5917

>  <Name> (215)
Solcitinib

>  <Synonyms> (215)
GLPG0778, GSK2586184

>  <Target> (215)
JAK

>  <Form> (215)
Free Base

>  <CAS> (215)
1206163-45-2

>  <URL> (215)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/12292211152D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.0300    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    5.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    4.8615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6052    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    1.0781    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    3.3309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    2.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3047    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6349    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 11 15  1  0  0  0  0
  9 13  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (216)
4161

>  <Formula> (216)
C18H22ClN5S

>  <MolWeight> (216)
375.91878

>  <Cat> (216)
S5919

>  <Name> (216)
KHS101 hydrochloride

>  <Synonyms> (216)
N/A

>  <Target> (216)
Microtubule Associat

>  <Form> (216)
hydrochloride

>  <CAS> (216)
1784282-12-7

>  <URL> (216)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/12292211152D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    5.9380    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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 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 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (217)
4191

>  <Formula> (217)
C14H11ClN4S2

>  <MolWeight> (217)
334.84694

>  <Cat> (217)
S8700

>  <Name> (217)
TP0427736 HCl

>  <Synonyms> (217)
N/A

>  <Target> (217)
ALK

>  <Form> (217)
hydrochloride

>  <CAS> (217)
864374-00-5

>  <URL> (217)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/12292211152D

 38 43  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 F   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
    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 N   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
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   10.2626    9.4512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5940    9.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6344    9.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9659    9.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
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 13  8  1  0  0  0  0
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 16 13  1  0  0  0  0
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 21 17  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 21  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
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 32 33  1  0  0  0  0
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 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 33 38  2  0  0  0  0
M  END
>  <Mol_ID> (218)
4209

>  <Formula> (218)
C29H24FN7O

>  <MolWeight> (218)
505.5455632

>  <Cat> (218)
S8761

>  <Name> (218)
Adavivint (SM04690)

>  <Synonyms> (218)
N/A

>  <Target> (218)
Wnt/beta-catenin

>  <Form> (218)
Free Base

>  <CAS> (218)
1467093-03-3

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

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/12292211152D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   10.3382    1.5555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8903    3.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    0.0000    6.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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 10 12  1  0  0  0  0
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 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 36 39  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
>  <Mol_ID> (219)
4219

>  <Formula> (219)
C29H39NO9

>  <MolWeight> (219)
545.62126

>  <Cat> (219)
S9015

>  <Name> (219)
Homoharringtonine

>  <CAS> (219)
26833-87-4

$$$$
S9297 Kirenol.cdx
csChFnd80/12292211152D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    7.2380    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 21 23  1  0  0  0  0
 18 26  1  1  0  0  0
M  END
>  <Mol_ID> (220)
4431

>  <Formula> (220)
C20H34O4

>  <MolWeight> (220)
338.48156

>  <Cat> (220)
S9297

>  <Name> (220)
Kirenol

>  <Form> (220)
free base

>  <CAS> (220)
52659-56-0

$$$$

csChFnd80/12292211152D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (221)
4724

>  <Formula> (221)
C16H20N7O6PS

>  <MolWeight> (221)
469.412061

>  <Cat> (221)
S5754

>  <Name> (221)
Baricitinib phosphate

>  <Synonyms> (221)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (221)
JAK

>  <Form> (221)
phosphate

>  <CAS> (221)
1187595-84-1

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

$$$$

csChFnd80/12292211152D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (222)
4753

>  <Formula> (222)
C16H17BrN2S

>  <MolWeight> (222)
349.28858

>  <Cat> (222)
S5791

>  <Name> (222)
Cyclic Pifithrin-¦Á hydrobromide 

>  <Synonyms> (222)
N/A

>  <Target> (222)
p53

>  <Form> (222)
hydrobromide 

>  <CAS> (222)
511296-88-1

>  <URL> (222)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/12292211152D

 10  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (223)
4768

>  <Formula> (223)
C5H10ClN3S

>  <MolWeight> (223)
179.671

>  <Cat> (223)
S5811

>  <Name> (223)
Kevetrin hydrochloride

>  <Synonyms> (223)
Thioureidobutyronitrile HCl

>  <Target> (223)
p53

>  <Form> (223)
hydrochloride

>  <CAS> (223)
66592-89-0

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

$$$$

csChFnd80/12292211152D

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>  <Mol_ID> (224)
4771

>  <Formula> (224)
C18H19F3N2O4S2

>  <MolWeight> (224)
448.4796696

>  <Cat> (224)
S5815

>  <Name> (224)
WAY-316606

>  <Synonyms> (224)
N/A

>  <Target> (224)
Wnt/beta-catenin

>  <Form> (224)
Free Base

>  <CAS> (224)
915759-45-4

>  <URL> (224)
http://www.selleckchem.com/products/way-316606.html

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csChFnd80/12292211152D

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4788

>  <Formula> (225)
C24H29N5O3

>  <MolWeight> (225)
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>  <Cat> (225)
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>  <Name> (225)
LY 3200882 

>  <Synonyms> (225)
N/A

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

>  <Form> (225)
Free Base

>  <CAS> (225)
1898283-02-7

>  <URL> (225)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/12292211152D

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>  <Mol_ID> (226)
5096

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C14H21N5O2S

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N/A

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JAK

>  <Form> (226)
free base

>  <CAS> (226)
1622902-68-4

>  <URL> (226)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/12292211152D

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1883299-62-4

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   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (228)
5171

>  <Formula> (228)
C13H8Cl2N2O4

>  <MolWeight> (228)
327.11962

>  <Cat> (228)
S3030

>  <Name> (228)
Niclosamide

>  <Synonyms> (228)
Niclocide

>  <Target> (228)
STAT

>  <Form> (228)
Free Base

>  <CAS> (228)
50-65-7

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

$$$$

csChFnd80/12292211152D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    3.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    3.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   17.7894    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 19  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (229)
5272

>  <Formula> (229)
C23H18N6O2

>  <MolWeight> (229)
410.42802

>  <Cat> (229)
S7137

>  <Name> (229)
GLPG0634 analogue

>  <Synonyms> (229)
N/A

>  <Target> (229)
JAK

>  <Form> (229)
Free Base

>  <CAS> (229)
1206101-20-3

>  <URL> (229)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/12292211152D

 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
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    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5035   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6367    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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> (230)
5276

>  <Formula> (230)
C19H18N4O3

>  <MolWeight> (230)
350.37122

>  <Cat> (230)
S8684

>  <Name> (230)
Selective JAK3 inhibitor 1

>  <Synonyms> (230)
N/A

>  <Target> (230)
JAK

>  <Form> (230)
Free Base

>  <CAS> (230)
1443235-95-7

>  <URL> (230)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/12292211152D

 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
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   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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> (231)
6525

>  <Formula> (231)
C14H14ClFN8

>  <MolWeight> (231)
348.7659632

>  <Cat> (231)
S2162

>  <Name> (231)
AZD1480

>  <Synonyms> (231)
N/A

>  <Target> (231)
JAK

>  <Form> (231)
free base

>  <CAS> (231)
935666-88-9

>  <URL> (231)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/12292211152D

 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
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   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
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   12.1241    0.0000    0.0000 Cl  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
  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> (232)
6542

>  <Formula> (232)
C16H13ClN4

>  <MolWeight> (232)
296.75422

>  <Cat> (232)
S6499

>  <Name> (232)
PF-6260933

>  <Synonyms> (232)
N/A

>  <Target> (232)
Serine/threonin kina

>  <Form> (232)
free base

>  <CAS> (232)
1811510-56-1

>  <URL> (232)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/12292211152D

 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
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    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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JAK

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free base

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21561-09-1

>  <URL> (233)
http://www.selleck.cn/products/whi-p258.html

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C23H24N2O

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>  <Cat> (234)
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>  <Name> (234)
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>  <Synonyms> (234)
JAK2 Inhibitor V

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JAK

>  <Form> (234)
free base

>  <CAS> (234)
195371-52-9

>  <URL> (234)
http://www.selleck.cn/products/nsc-42834.html

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>  <Formula> (235)
C19H18N4OS

>  <MolWeight> (235)
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>  <Cat> (235)
S6565

>  <Name> (235)
JK184

>  <Synonyms> (235)
N/A

>  <Target> (235)
Hedgehog/Smoothened

>  <Form> (235)
free base

>  <CAS> (235)
315703-52-7

>  <URL> (235)
http://www.selleck.cn/products/jk184.html

$$$$

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6609

>  <Formula> (236)
C21H17N3O2S

>  <MolWeight> (236)
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>  <Cat> (236)
S8704

>  <Name> (236)
iCRT14

>  <Synonyms> (236)
N/A

>  <Target> (236)
Wnt/beta-catenin

>  <Form> (236)
free base

>  <CAS> (236)
677331-12-3

>  <URL> (236)
http://www.selleck.cn/products/icrt14.html

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>  <MolWeight> (237)
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N/A

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P-gp

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>  <CAS> (237)
108237-91-8

>  <URL> (237)
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ROCK

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867017-68-3

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1099644-42-4

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http://www.selleck.cn/products/itd-1.html

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664993-53-7

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334951-90-5

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http://www.selleck.cn/products/bibf-0775.html

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1629138-41-5

>  <URL> (244)
http://www.selleck.cn/products/sri-011381.html

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    5.0373    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 21  1  0  0  0  0
 18 20  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
>  <Mol_ID> (246)
6838

>  <Formula> (246)
C12H15N3O6

>  <MolWeight> (246)
297.264

>  <Cat> (246)
S2427

>  <Name> (246)
Triglycidyl Isocyanurate (Teroxirone)

>  <Synonyms> (246)
Tris(2,3-epoxypropyl) Isocyanurate, TGI, TGIC

>  <Target> (246)
p53

>  <Form> (246)
Free Base

>  <CAS> (246)
2451-62-9

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

$$$$

csChFnd80/12292211152D

 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
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  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
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 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> (247)
6853

>  <Formula> (247)
C15H11ClF3NO

>  <MolWeight> (247)
313.7021496

>  <Cat> (247)
S8951

>  <Name> (247)
TED-347

>  <Synonyms> (247)
N/A

>  <Target> (247)
Hippo pathway

>  <Form> (247)
Free Base

>  <CAS> (247)
2378626-29-8

>  <URL> (247)
http://www.selleckchem.com/products/ted-347.html

$$$$

csChFnd80/12292211152D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.4115    7.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1325    7.1602    0.0000 N   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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    0.0000    0.0000    0.0000 F   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
  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
 16 17  1  0  0  0  0
 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
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
  9 21  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (248)
6865

>  <Formula> (248)
C20H13FN4O2

>  <MolWeight> (248)
360.3412232

>  <Cat> (248)
S5183

>  <Name> (248)
PD 169316

>  <Synonyms> (248)
N/A

>  <Target> (248)
p38 MAPK

>  <Form> (248)
Free Base

>  <CAS> (248)
152121-53-4

>  <URL> (248)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12292211152D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (249)
6879

>  <Formula> (249)
C16H11N3O3

>  <MolWeight> (249)
293.27684

>  <Cat> (249)
S6784

>  <Name> (249)
STAT5-IN-1

>  <Synonyms> (249)
N/A

>  <Target> (249)
STAT

>  <Form> (249)
Free Base

>  <CAS> (249)
285986-31-4

>  <URL> (249)
http://www.selleckchem.com/products/stat-in-1.html

$$$$

csChFnd80/12292211152D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5 23  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (250)
6892

>  <Formula> (250)
C20H13F2N3

>  <MolWeight> (250)
333.3341264

>  <Cat> (250)
S6807

>  <Name> (250)
TA-02

>  <Synonyms> (250)
N/A

>  <Target> (250)
p38 MAPK

>  <Form> (250)
Free Base

>  <CAS> (250)
1784751-19-4

>  <URL> (250)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12292211152D

 14 16  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (251)
6903

>  <Formula> (251)
C12H8N2

>  <MolWeight> (251)
180.20532

>  <Cat> (251)
S6830

>  <Name> (251)
o-Phenanthroline

>  <Synonyms> (251)
1,10-Phenanthroline, phen

>  <Target> (251)
MMP

>  <Form> (251)
Free Base

>  <CAS> (251)
66-71-7

>  <URL> (251)
http://www.selleckchem.com/products/o-phenanthroline.html

$$$$

csChFnd80/12292211152D

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M  END
>  <Mol_ID> (252)
6934

>  <Formula> (252)
C26H34N6O3S

>  <MolWeight> (252)
510.65156

>  <Cat> (252)
S0391

>  <Name> (252)
TG-89

>  <Synonyms> (252)
N/A

>  <Target> (252)
JAK

>  <Form> (252)
Free Base

>  <CAS> (252)
936091-56-4

>  <URL> (252)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/12292211152D

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>  <Mol_ID> (253)
6944

>  <Formula> (253)
C14H10BrNOS

>  <MolWeight> (253)
320.2043

>  <Cat> (253)
S0523

>  <Name> (253)
SB?4

>  <Synonyms> (253)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (253)
TGF-beta/Smad

>  <Form> (253)
Free Base

>  <CAS> (253)
100874-08-6

>  <URL> (253)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/12292211152D

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>  <Mol_ID> (254)
6975

>  <Formula> (254)
C25H19N5S

>  <MolWeight> (254)
421.51686

>  <Cat> (254)
S7692

>  <Name> (254)
A-83-01

>  <Synonyms> (254)
N/A

>  <Target> (254)
ALK

>  <Form> (254)
Free Base

>  <CAS> (254)
909910-43-6

>  <URL> (254)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/12292211152D

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>  <Mol_ID> (255)
7017

>  <Formula> (255)
C13H11NO5S2

>  <MolWeight> (255)
325.36014

>  <Cat> (255)
S0225

>  <Name> (255)
IMR-1A

>  <Target> (255)
Notch

>  <Form> (255)
free base

>  <CAS> (255)
331862-41-0

>  <URL> (255)
http://www.selleckchem.com/products/imr-1a.html

$$$$

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M  END
>  <Mol_ID> (256)
7019

>  <Formula> (256)
C21H19N3O3

>  <MolWeight> (256)
361.39386

>  <Cat> (256)
S0268

>  <Name> (256)
DMX-5084

>  <Target> (256)
MAP4K

>  <Form> (256)
free base

>  <CAS> (256)
2306178-56-1

>  <URL> (256)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/12292211152D

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M  END
>  <Mol_ID> (257)
7039

>  <Formula> (257)
C21H13ClF3N3O2

>  <MolWeight> (257)
431.7950296

>  <Cat> (257)
S0445

>  <Name> (257)
SC-43

>  <Target> (257)
phosphatase

>  <Form> (257)
free base

>  <CAS> (257)
1400989-25-4

>  <URL> (257)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/12292211152D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (258)
7041

>  <Formula> (258)
C14H10N4O3S

>  <MolWeight> (258)
314.3192

>  <Cat> (258)
S0458

>  <Name> (258)
KY1220

>  <Target> (258)
Wnt/beta-catenin

>  <Form> (258)
free base

>  <CAS> (258)
292168-79-7

>  <URL> (258)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/12292211152D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (259)
7052

>  <Formula> (259)
C23H40N2O3

>  <MolWeight> (259)
392.5753

>  <Cat> (259)
S0752

>  <Name> (259)
AUDA

>  <Target> (259)
Epoxide Hydrolase

>  <Form> (259)
free base

>  <CAS> (259)
479413-70-2

>  <URL> (259)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/12292211152D

 35 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (260)
7058

>  <Formula> (260)
C28H29NO6

>  <MolWeight> (260)
475.53296

>  <Cat> (260)
S0818

>  <Name> (260)
STAT3-IN-1

>  <Target> (260)
STAT

>  <Form> (260)
free base

>  <CAS> (260)
2059952-75-7

>  <URL> (260)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/12292211152D

 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> (261)
7064

>  <Formula> (261)
C30H48O7

>  <MolWeight> (261)
520.69792

>  <Cat> (261)
S0949

>  <Name> (261)
Cucurbitacin IIb

>  <Target> (261)
STAT

>  <Form> (261)
free base

>  <CAS> (261)
50298-90-3

>  <URL> (261)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/12292211152D

 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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (262)
7084

>  <Formula> (262)
C7H14O6

>  <MolWeight> (262)
194.18246

>  <Cat> (262)
S3223

>  <Name> (262)
L-Quebrachitol

>  <Target> (262)
TGF-beta/Smad

>  <Form> (262)
free base

>  <CAS> (262)
642-38-6

>  <URL> (262)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/12292211152D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24  2  1  1  0  0  0
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M  END
>  <Mol_ID> (263)
7092

>  <Formula> (263)
C24H32O4

>  <MolWeight> (263)
384.50848

>  <Cat> (263)
S3238

>  <Name> (263)
Resibufogenin

>  <Target> (263)
RIP kinase

>  <Form> (263)
free base

>  <CAS> (263)
465-39-4

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

$$$$

csChFnd80/12292211152D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (264)
7116

>  <Formula> (264)
C27H30O15

>  <MolWeight> (264)
594.5181

>  <Cat> (264)
S3267

>  <Name> (264)
Kaempferol-3-O-rutinoside

>  <Target> (264)
Apoptosis related

>  <Form> (264)
free base

>  <CAS> (264)
17650-84-9

>  <URL> (264)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/12292211152D

 19 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
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M  END
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7137

>  <Formula> (265)
C17H24O2

>  <MolWeight> (265)
260.37126

>  <Cat> (265)
S3292

>  <Name> (265)
Falcarindiol

>  <Target> (265)
NOS

>  <Form> (265)
free base

>  <CAS> (265)
225110-25-8

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

$$$$

csChFnd80/12292211152D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 13 16  2  0  0  0  0
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 15 18  1  0  0  0  0
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 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (266)
7191

>  <Formula> (266)
C20H12N2OS4

>  <MolWeight> (266)
424.58208

>  <Cat> (266)
S6898

>  <Name> (266)
RCM-1

>  <Target> (266)
Interleukins

>  <Form> (266)
free base

>  <CAS> (266)
339163-65-4

>  <URL> (266)
http://www.selleckchem.com/products/rcm-1.html

$$$$

csChFnd80/12292211152D

 30 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (267)
7229

>  <Formula> (267)
C22H13FN2O5

>  <MolWeight> (267)
404.3474232

>  <Cat> (267)
S9602

>  <Name> (267)
9-ing-41

>  <Target> (267)
GSK-3

>  <Form> (267)
free base

>  <CAS> (267)
1034895-42-5

>  <URL> (267)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/12292211152D

 24 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (268)
7274

>  <Formula> (268)
C21H18N2O

>  <MolWeight> (268)
314.38042

>  <Cat> (268)
S0765

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MAZ51

>  <Synonyms> (268)
N/A

>  <Target> (268)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (268)
Free Base

>  <CAS> (268)
163655-37-6

>  <URL> (268)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/12292211152D

 23 24  0  0  0  0  0  0  0  0999 V2000
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7349

>  <Formula> (269)
C16H15FN2O4

>  <MolWeight> (269)
318.2997032

>  <Cat> (269)
S0153

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SJ000291942

>  <Synonyms> (269)
N/A

>  <Target> (269)
TGF-beta/Smad

>  <Form> (269)
Free Base

>  <CAS> (269)
425613-09-8

>  <URL> (269)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/12292211152D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    1.4150    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7489    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
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 14 18  2  0  0  0  0
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 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
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M  END
>  <Mol_ID> (270)
7372

>  <Formula> (270)
C16H11N3O3

>  <MolWeight> (270)
293.27684

>  <Cat> (270)
S0354

>  <Name> (270)
Alsterpaullone

>  <Synonyms> (270)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (270)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (270)
Free Base

>  <CAS> (270)
237430-03-4

>  <URL> (270)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/12292211152D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 15  2  0  0  0  0
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  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
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  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
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 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
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 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (271)
7376

>  <Formula> (271)
C17H14Cl2N6O

>  <MolWeight> (271)
389.23866

>  <Cat> (271)
S0384

>  <Name> (271)
RO495

>  <Synonyms> (271)
CS-2667

>  <Target> (271)
JAK

>  <Form> (271)
Free Base

>  <CAS> (271)
1258296-60-4

>  <URL> (271)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/12292211152D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   11.9040    1.5205    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
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  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
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  7 14  1  0  0  0  0
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  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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 15 18  1  0  0  0  0
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M  END
>  <Mol_ID> (272)
7410

>  <Formula> (272)
C18H13F2NO3

>  <MolWeight> (272)
329.2975264

>  <Cat> (272)
S0881

>  <Name> (272)
Mitochonic acid 5

>  <Synonyms> (272)
MA-5

>  <Target> (272)
Mitophagy. MAPK. ERK. Yap

>  <Form> (272)
Free Base

>  <CAS> (272)
1354707-41-7

>  <URL> (272)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/12292211152D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (273)
7562

>  <Formula> (273)
C15H15NO4S

>  <MolWeight> (273)
305.3489

>  <Cat> (273)
S6901

>  <Name> (273)
MSAB

>  <Synonyms> (273)
N/A

>  <Target> (273)
Wnt/beta-catenin

>  <Form> (273)
Free Base

>  <CAS> (273)
173436-66-3

>  <URL> (273)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/12292211152D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (274)
7586

>  <Formula> (274)
C15H17F3N2O

>  <MolWeight> (274)
298.3034896

>  <Cat> (274)
S8950

>  <Name> (274)
MYF-01-37

>  <Synonyms> (274)
N/A

>  <Target> (274)
YAP

>  <Form> (274)
Free Base

>  <CAS> (274)
unknown

>  <URL> (274)
https://www.selleckchem.com/products/myf-01-37.html

$$$$

csChFnd80/12292211152D

186188  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (275)
7595

>  <Formula> (275)
C119H206N32O35

>  <MolWeight> (275)
2645.10234

>  <Cat> (275)
S9664

>  <Name> (275)
Colivelin

>  <Synonyms> (275)
CLN

>  <Target> (275)
STAT. Beta Amyloid.

>  <Form> (275)
Free Base

>  <CAS> (275)
867021-83-8

>  <URL> (275)
https://www.selleckchem.com/products/colivelin.html

$$$$

csChFnd80/12292211152D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
7614

>  <Formula> (276)
C15H18N2O

>  <MolWeight> (276)
242.31622

>  <Cat> (276)
S9719

>  <Name> (276)
CB-103

>  <Synonyms> (276)
N/A

>  <Target> (276)
Notch

>  <Form> (276)
Free Base

>  <CAS> (276)
218457-67-1

>  <URL> (276)
https://www.selleckchem.com/products/cb-103.html

$$$$

csChFnd80/12292211152D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (277)
7617

>  <Formula> (277)
C17H8Cl3N3O2

>  <MolWeight> (277)
392.62332

>  <Cat> (277)
S9743

>  <Name> (277)
Ciliobrevin D

>  <Synonyms> (277)
N/A

>  <Target> (277)
Hedgehog/Smoothened. ATPase

>  <Form> (277)
Free Base

>  <CAS> (277)
1370554-01-0

>  <URL> (277)
https://www.selleckchem.com/products/ciliobrevin-d.html

$$$$

csChFnd80/12292211152D

 29 29  0  0  0  0  0  0  0  0999 V2000
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  3 29  1  0  0  0  0
  4  9  1  0  0  0  0
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 11 12  1  0  0  0  0
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (278)
7922

>  <Formula> (278)
C22H28Cl2N4O

>  <MolWeight> (278)
435.38992

>  <Cat> (278)
E0035

>  <Name> (278)
CP-31398 Dihydrochloride

>  <Synonyms> (278)
N/A

>  <Target> (278)
p53

>  <Form> (278)
Dihydrochloride

>  <CAS> (278)
1217195-61-3

>  <URL> (278)
http://www.selleckchem.com/products/cp-31398-dihydrochloride.html

$$$$

csChFnd80/12292211152D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 15 24  2  0  0  0  0
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M  END
>  <Mol_ID> (279)
8024

>  <Formula> (279)
C20H22N4

>  <MolWeight> (279)
318.41548

>  <Cat> (279)
S9828

>  <Name> (279)
WAY-262611

>  <Synonyms> (279)
BML-WN110

>  <Target> (279)
Wnt/beta-catenin

>  <Form> (279)
Free Base

>  <CAS> (279)
1123231-07-1

>  <URL> (279)
http://www.selleckchem.com/products/way-262611.html

$$$$

csChFnd80/12292211152D

 34 38  0  0  0  0  0  0  0  0999 V2000
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   12.2669    8.4871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8669    8.4871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7668    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1669    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1669    9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9669    9.6997    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 17  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  2  0  0  0  0
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  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  8  5  1  6  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
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 24 25  1  0  0  0  0
 26 31  2  0  0  0  0
 26 32  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (280)
8130

>  <Formula> (280)
C28H28ClN3OS

>  <MolWeight> (280)
490.05942

>  <Cat> (280)
S6384

>  <Name> (280)
Smoothened Agonist (SAG)

>  <Synonyms> (280)
N/A

>  <Form> (280)
Free Base

>  <CAS> (280)
912545-86-9

>  <URL> (280)
http://www.selleckchem.com/products/smoothened-agonist-sag.html

$$$$

csChFnd80/12292211152D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.0619    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  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
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
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 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
>  <Mol_ID> (281)
8357

>  <Formula> (281)
C17H22N4O

>  <MolWeight> (281)
298.38278

>  <Cat> (281)
S3381

>  <Name> (281)
VUT-MK142

>  <Target> (281)
Others

>  <Form> (281)
free base

>  <CAS> (281)
1313491-22-3

>  <URL> (281)
http://www.selleckchem.com/products/vut-mk142.html

$$$$

csChFnd80/12292211152D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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 17 10  1  0  0  0  0
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 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (282)
8391

>  <Formula> (282)
C17H17NO2

>  <MolWeight> (282)
267.32238

>  <Cat> (282)
S7274

>  <Name> (282)
HLY78

>  <Target> (282)
Wnt/beta-catenin

>  <Form> (282)
free base

>  <CAS> (282)
854847-61-3

>  <URL> (282)
http://www.selleckchem.com/products/hly78.html

$$$$

csChFnd80/12292211152D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (283)
8435

>  <Formula> (283)
C31H29N3O5S

>  <MolWeight> (283)
555.64406

>  <Cat> (283)
E0480

>  <Name> (283)
MRT-81

>  <Target> (283)
Hedgehog/Smoothened

>  <Form> (283)
free base

>  <CAS> (283)
1263132-08-6

>  <URL> (283)
http://www.selleckchem.com/products/mrt-81.html

$$$$

csChFnd80/12292211152D

 33 35  0  0  0  0  0  0  0  0999 V2000
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8490

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C24H23N3O5S

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Hedgehog/Smoothened

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free base

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330829-30-6

>  <URL> (284)
http://www.selleckchem.com/products/mrt-10.html

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csChFnd80/12292211152D

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8523

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C14H13NO2

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227.25852

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E0935

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MS7972

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free base

>  <CAS> (285)
352553-42-5

>  <URL> (285)
http://www.selleckchem.com/products/ms7972.html

$$$$

csChFnd80/12292211152D

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M  END
>  <Mol_ID> (286)
8708

>  <Formula> (286)
C25H42N6O11S2

>  <MolWeight> (286)
666.76458

>  <Cat> (286)
P1216

>  <Name> (286)
Box5

>  <Form> (286)
free base

>  <CAS> (286)
881188-48-3

>  <URL> (286)
http://www.selleckchem.com/products/box5.html

$$$$

csChFnd80/12292211152D

 39 34  0  0  0  0  0  0  0  0999 V2000
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A   38
.
A   39
.
M  END
>  <Mol_ID> (287)
8727

>  <Formula> (287)
C12H12Mg3O18P2R2

>  <MolWeight> (287)
579.075402

>  <Cat> (287)
E2692

>  <Name> (287)
L-Ascorbic acid 2-phosphate sesquimagnesium salt

>  <Synonyms> (287)
2-Phospho-L-ascorbic acid magnesium

>  <Form> (287)
sesquimagnesium salt

>  <CAS> (287)
113170-55-1

>  <URL> (287)
http://www.selleckchem.com/products/l-ascorbic-acid-2-phosphate-sesquimagnesium-salt.html

$$$$

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M  END
>  <Mol_ID> (288)
8795

>  <Formula> (288)
C23H24ClN5O

>  <MolWeight> (288)
421.92256

>  <Cat> (288)
S7981

>  <Name> (288)
CCT251545

>  <Synonyms> (288)
N/A

>  <Target> (288)
Wnt/beta-catenin

>  <Form> (288)
Free base

>  <CAS> (288)
1661839-45-7

>  <URL> (288)
http://www.selleckchem.com/products/cct251545.html

$$$$

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M  END
>  <Mol_ID> (289)
8802

>  <Formula> (289)
C42H70O11

>  <MolWeight> (289)
750.9986

>  <Cat> (289)
S8129

>  <Name> (289)
Salinomycin (from Streptomyces albus)

>  <Synonyms> (289)
Coxistac, Bio-cox, Procoxacin

>  <Target> (289)
Wnt/beta-catenin

>  <Form> (289)
Free base

>  <CAS> (289)
53003-10-4

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

$$$$

csChFnd80/12292211152D

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M  END
>  <Mol_ID> (290)
8850

>  <Formula> (290)
C28H36N4O6S2

>  <MolWeight> (290)
588.73864

>  <Cat> (290)
S0733

>  <Name> (290)
Tegatrabetan (BC-2059)

>  <Synonyms> (290)
N/A

>  <Target> (290)
Wnt/beta-catenin

>  <Form> (290)
Free base

>  <CAS> (290)
1227637-23-1

>  <URL> (290)
http://www.selleckchem.com/products/tegatrabetan.html

$$$$

csChFnd80/12292211152D

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M  END
>  <Mol_ID> (291)
8881

>  <Formula> (291)
C17H14FN3O2

>  <MolWeight> (291)
311.3103632

>  <Cat> (291)
S3376

>  <Name> (291)
RBPJ Inhibitor-1 (RIN1)

>  <Synonyms> (291)
N/A

>  <Target> (291)
Notch

>  <Form> (291)
Free base

>  <CAS> (291)
2682114-39-0

>  <URL> (291)
http://www.selleckchem.com/products/rin1.html

$$$$

csChFnd80/12292211152D

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M  END
>  <Mol_ID> (292)
8912

>  <Formula> (292)
C28H28FN5OS

>  <MolWeight> (292)
501.6182232

>  <Cat> (292)
S6668

>  <Name> (292)
NVS-ZP7-4

>  <Synonyms> (292)
N/A

>  <Target> (292)
Notch

>  <Form> (292)
Free base

>  <CAS> (292)
2349367-89-9

>  <URL> (292)
http://www.selleckchem.com/products/nvs-zp7-4.html

$$$$

csChFnd80/12292211152D

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M  END
>  <Mol_ID> (293)
8984

>  <Formula> (293)
C33H35N6O7P

>  <MolWeight> (293)
658.640761

>  <Cat> (293)
S8968

>  <Name> (293)
PRI-724

>  <Synonyms> (293)
C-82 prodrug, ICG-001 analog

>  <Target> (293)
Wnt/beta-catenin

>  <Form> (293)
Free base

>  <CAS> (293)
1422253-38-0

>  <URL> (293)
http://www.selleckchem.com/products/pri-724.html

$$$$

csChFnd80/12292211152D

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116184  2  0  0  0  0
M  END
>  <Mol_ID> (294)
9136

>  <Formula> (294)
C108H206N52O24

>  <MolWeight> (294)
2617.12524

>  <Cat> (294)
S8187

>  <Name> (294)
ReACp53

>  <Synonyms> (294)
N/A

>  <Target> (294)
p53

>  <Form> (294)
Free base

>  <CAS> (294)
unknown

>  <URL> (294)
http://www.selleckchem.com/products/reacp53.html

$$$$

csChFnd80/12292211152D

 33 37  0  0  0  0  0  0  0  0999 V2000
   15.5389    3.5425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9782    3.8315    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    2.5287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1767    6.2589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2767    5.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1799    3.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0767    5.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0791    2.6202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1784    1.4049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    0.2754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4138    1.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4791    2.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1782    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6843    2.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4767    5.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3782    3.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3767    6.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9767    6.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    7.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2779    2.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2753    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3743    8.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9743    8.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8791    2.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7801    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4247    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8772    5.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
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  4 15  2  0  0  0  0
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  7 15  1  0  0  0  0
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  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  2  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 25  1  0  0  0  0
 10 27  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 17 18  1  0  0  0  0
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 28 29  2  0  0  0  0
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 28 32  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (295)
9156

>  <Formula> (295)
C23H20N4O3S3

>  <MolWeight> (295)
496.6249

>  <Cat> (295)
E0033

>  <Name> (295)
IWP-4

>  <Synonyms> (295)
N/A

>  <Target> (295)
Wnt/beta-catenin

>  <Form> (295)
Free base

>  <CAS> (295)
686772-17-8

>  <URL> (295)
http://www.selleckchem.com/products/iwp-4.html

$$$$
