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>  <Mol_ID> (1)
1

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C42H45ClN6O5S2

>  <MolWeight> (1)
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S1002

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ABT-737

>  <Synonyms> (1)
N/A

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Bcl-2 

>  <Form> (1)
Free Base

>  <CAS> (1)
852808-04-9

>  <URL> (1)
http://www.selleckchem.com/products/ABT-737.html

$$$$
untitled.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (2)
4

>  <Formula> (2)
C22H18N4OS

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S1005

>  <Name> (2)
Axitinib

>  <Synonyms> (2)
AG 013736

>  <Target> (2)
VEGFR, PDGFR, c-Kit

>  <Form> (2)
Free Base

>  <CAS> (2)
319460-85-0

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

$$$$
untitled.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (3)
8

>  <Formula> (3)
C19H25BN4O4

>  <MolWeight> (3)
384.2372

>  <Cat> (3)
S1013

>  <Name> (3)
Bortezomib (Velcade)

>  <Synonyms> (3)
MG-341, PS-341

>  <Target> (3)
Proteasome

>  <Form> (3)
Free Base

>  <CAS> (3)
179324-69-7

>  <URL> (3)
http://www.selleckchem.com/products/Bortezomib.html

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (4)
9

>  <Formula> (4)
C26H29Cl2N5O3

>  <MolWeight> (4)
530.44616

>  <Cat> (4)
S1014

>  <Name> (4)
Bosutinib (SKI-606)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
Src

>  <Form> (4)
Free Base

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

>  <URL> (4)
http://www.selleckchem.com/products/Bosutinib.html

$$$$
Dasatinib.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (5)
12

>  <Formula> (5)
C22H26ClN7O2S

>  <MolWeight> (5)
488.00554

>  <Cat> (5)
S1021

>  <Name> (5)
Dasatinib

>  <Synonyms> (5)
BMS-354825

>  <Target> (5)
Src, Bcr-Abl, c-Kit

>  <Form> (5)
Free Base

>  <CAS> (5)
302962-49-8

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

$$$$
untitled.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (6)
15

>  <Formula> (6)
C22H24ClFN4O3

>  <MolWeight> (6)
446.9023632

>  <Cat> (6)
S1025

>  <Name> (6)
Gefitinib (ZD1839)

>  <Synonyms> (6)
N/A

>  <Target> (6)
EGFR

>  <Form> (6)
Free Base

>  <CAS> (6)
184475-35-2

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

$$$$
untitled.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (7)
21

>  <Formula> (7)
C28H22F3N7O

>  <MolWeight> (7)
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>  <Cat> (7)
S1033

>  <Name> (7)
Nilotinib (AMN-107)

>  <Synonyms> (7)
Tasigna 

>  <Target> (7)
Bcr-Abl

>  <Form> (7)
Free Base

>  <CAS> (7)
641571-10-0

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

$$$$
RAPAMYCIN.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (8)
27

>  <Formula> (8)
C51H79NO13

>  <MolWeight> (8)
914.17186

>  <Cat> (8)
S1039

>  <Name> (8)
Rapamycin (Sirolimus)

>  <Synonyms> (8)
N/A 

>  <Target> (8)
mTOR 

>  <Form> (8)
Free Base

>  <CAS> (8)
53123-88-9

>  <URL> (8)
http://www.selleckchem.com/products/Rapamycin.html

$$$$
1.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (9)
37

>  <Formula> (9)
C21H23N3O4S

>  <MolWeight> (9)
413.49002

>  <Cat> (9)
S1057

>  <Name> (9)
Obatoclax mesylate (GX15-070)

>  <Synonyms> (9)
N/A 

>  <Target> (9)
Bcl-2 

>  <Form> (9)
Mesylate

>  <CAS> (9)
803712-79-0

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

$$$$
AZD2281.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (10)
38

>  <Formula> (10)
C24H23FN4O3

>  <MolWeight> (10)
434.4628232

>  <Cat> (10)
S1060

>  <Name> (10)
Olaparib (AZD2281, Ku-0059436)

>  <Synonyms> (10)
KU-0059436 

>  <Target> (10)
PARP 

>  <Form> (10)
Free Base

>  <CAS> (10)
763113-22-0

>  <URL> (10)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

$$$$
NVP-AUY922 .cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (11)
43

>  <Formula> (11)
C26H31N3O5

>  <MolWeight> (11)
465.54144

>  <Cat> (11)
S1069

>  <Name> (11)
Luminespib (AUY-922, NVP-AUY922)

>  <Synonyms> (11)
VER-52296

>  <Target> (11)
HSP

>  <Form> (11)
Free Base

>  <CAS> (11)
747412-49-3

>  <URL> (11)
http://www.selleckchem.com/products/NVP-AUY922.html

$$$$
XL-184 free base.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (12)
80

>  <Formula> (12)
C28H24FN3O5

>  <MolWeight> (12)
501.5056632

>  <Cat> (12)
S1119

>  <Name> (12)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (12)
N/A

>  <Target> (12)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (12)
Free Base

>  <CAS> (12)
849217-68-1

>  <URL> (12)
http://www.selleckchem.com/products/XL184.html

$$$$
untitled.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (13)
84

>  <Formula> (13)
C31H43N3O8

>  <MolWeight> (13)
585.68842

>  <Cat> (13)
S1141

>  <Name> (13)
17-AAG (Tanespimycin)

>  <Synonyms> (13)
N/A 

>  <Target> (13)
HSP

>  <Form> (13)
Free Base

>  <CAS> (13)
75747-14-7

>  <URL> (13)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
BIIB021 (CNF2024).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (14)
104

>  <Formula> (14)
C14H15ClN6O

>  <MolWeight> (14)
318.7615

>  <Cat> (14)
S1175

>  <Name> (14)
BIIB021

>  <Synonyms> (14)
CNF2024

>  <Target> (14)
HSP

>  <Form> (14)
Free Base

>  <CAS> (14)
848695-25-0

>  <URL> (14)
http://www.selleckchem.com/products/BIIB021.html

$$$$
BAY 73-4506.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (15)
107

>  <Formula> (15)
C21H15ClF4N4O3

>  <MolWeight> (15)
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>  <Cat> (15)
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>  <Name> (15)
Regorafenib (BAY 73-4506)

>  <Synonyms> (15)
BAY 73-4506

>  <Target> (15)
c-Kit, Raf, VEGFR

>  <Form> (15)
Free Base

>  <CAS> (15)
755037-03-7

>  <URL> (15)
http://www.selleckchem.com/products/BAY-73-4506.html

$$$$
Ritonavir.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (16)
112

>  <Formula> (16)
C37H48N6O5S2

>  <MolWeight> (16)
720.94422

>  <Cat> (16)
S1185

>  <Name> (16)
Ritonavir

>  <Synonyms> (16)
Norvir, Norvir Softgel

>  <Target> (16)
HIV Protease

>  <Form> (16)
Free Base

>  <CAS> (16)
155213-67-5

>  <URL> (16)
http://www.selleckchem.com/products/Ritonavir.html

$$$$
PLX-4032.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (17)
159

>  <Formula> (17)
C23H18ClF2N3O3S

>  <MolWeight> (17)
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>  <Cat> (17)
S1267

>  <Name> (17)
Vemurafenib (PLX4032, RG7204)

>  <Synonyms> (17)
RO5185426

>  <Target> (17)
Raf 

>  <Form> (17)
Free Base

>  <CAS> (17)
918504-65-1

>  <URL> (17)
http://www.selleckchem.com/products/PLX-4032.html

$$$$
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (18)
180

>  <Formula> (18)
C12H21N5O2S2

>  <MolWeight> (18)
331.45744

>  <Cat> (18)
S1890

>  <Name> (18)
Nizatidine

>  <Synonyms> (18)
Axid

>  <Target> (18)
Histamine Receptor

>  <Form> (18)
Free Base

>  <CAS> (18)
76963-41-2

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

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/06182009362D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.0577    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13  7  1  0  0  0  0
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 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (19)
230

>  <Formula> (19)
C22H23ClN2O2

>  <MolWeight> (19)
382.88322

>  <Cat> (19)
S1358

>  <Name> (19)
Loratadine

>  <Synonyms> (19)
Alavert, Claritin

>  <Target> (19)
Histamine Receptor

>  <Form> (19)
Free Base

>  <CAS> (19)
79794-75-5

>  <URL> (19)
http://www.selleckchem.com/products/Loratadine.html

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/06182009362D

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0949    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 34  1  6  0  0  0
M  END
>  <Mol_ID> (20)
241

>  <Formula> (20)
C37H48N4O5

>  <MolWeight> (20)
628.80082

>  <Cat> (20)
S1380

>  <Name> (20)
Lopinavir (ABT-378)

>  <Synonyms> (20)
ABT-378

>  <Target> (20)
HIV Protease

>  <Form> (20)
Free Base

>  <CAS> (20)
192725-17-0

>  <URL> (20)
http://www.selleckchem.com/products/Lopinavir.html

$$$$
S1130.cdx
csChFnd80/06182009362D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (21)
255

>  <Formula> (21)
C20H19BrN4O3

>  <MolWeight> (21)
443.29386

>  <Cat> (21)
S1130

>  <Name> (21)
YM155 (Sepantronium Bromide)

>  <Synonyms> (21)
N/A

>  <Target> (21)
Survivin

>  <Form> (21)
Bromide

>  <CAS> (21)
781661-94-7

>  <URL> (21)
http://www.selleckchem.com/products/YM155.html

$$$$
Tigecycline.cdx
csChFnd80/06182009362D

 44 47  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (22)
256

>  <Formula> (22)
C29H39N5O8

>  <MolWeight> (22)
585.64866

>  <Cat> (22)
S1403

>  <Name> (22)
Tigecycline

>  <Synonyms> (22)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (22)
Antifection

>  <Form> (22)
Free Base

>  <CAS> (22)
220620-09-7

>  <URL> (22)
http://www.selleckchem.com/products/Tigecycline.html

$$$$
AP24534.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (23)
308

>  <Formula> (23)
C29H27F3N6O

>  <MolWeight> (23)
532.5594896

>  <Cat> (23)
S1490

>  <Name> (23)
Ponatinib (AP24534)

>  <Synonyms> (23)
N/A 

>  <Target> (23)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (23)
Free Base

>  <CAS> (23)
943319-70-8

>  <URL> (23)
http://www.selleckchem.com/products/AP24534.html

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/06182009362D

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>  <Mol_ID> (24)
347

>  <Formula> (24)
C13H11N3O4

>  <MolWeight> (24)
273.24414

>  <Cat> (24)
S1567

>  <Name> (24)
Pomalidomide

>  <Synonyms> (24)
CC-4047

>  <Target> (24)
TNF-alpha, COX

>  <Form> (24)
Free Base

>  <CAS> (24)
19171-19-8

>  <URL> (24)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
Apixaban.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (25)
357

>  <Formula> (25)
C25H25N5O4

>  <MolWeight> (25)
459.4971

>  <Cat> (25)
S1593

>  <Name> (25)
Apixaban

>  <Synonyms> (25)
N/A

>  <Target> (25)
Factor Xa 

>  <Form> (25)
Free Base

>  <CAS> (25)
503612-47-3

>  <URL> (25)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/06182009362D

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  1  2  2  0  0  0  0
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 27 28  1  0  0  0  0
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 29 31  1  0  0  0  0
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M  END
>  <Mol_ID> (26)
382

>  <Formula> (26)
C31H33N3O6S

>  <MolWeight> (26)
575.67522

>  <Cat> (26)
S1633

>  <Name> (26)
Zafirlukast (Accolate)

>  <Synonyms> (26)
Accolate, Accoleit, Vanticon

>  <Target> (26)
LTR

>  <Form> (26)
Free Base

>  <CAS> (26)
107753-78-6

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

$$$$
ALTACE (ramipril).cdx
csChFnd80/06182009362D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   12.5659    8.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (27)
464

>  <Formula> (27)
C23H32N2O5

>  <MolWeight> (27)
416.51058

>  <Cat> (27)
S1793

>  <Name> (27)
Ramipril (Altace)

>  <Synonyms> (27)
Tritace

>  <Target> (27)
RAAS

>  <Form> (27)
Free Base

>  <CAS> (27)
87333-19-5

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

$$$$
Baricitinib.cdx
csChFnd80/06182009362D

 26 29  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
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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (28)
472

>  <Formula> (28)
C16H17N7O2S

>  <MolWeight> (28)
371.41688

>  <Cat> (28)
S2851

>  <Name> (28)
Baricitinib (LY3009104)

>  <Synonyms> (28)
INCB 28050

>  <Target> (28)
JAK

>  <Form> (28)
Free Base

>  <CAS> (28)
1187594-09-7

>  <URL> (28)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/06182009362D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
482

>  <Formula> (29)
C6H7N3O

>  <MolWeight> (29)
137.13928

>  <Cat> (29)
S1937

>  <Name> (29)
Isoniazid (Tubizid)

>  <Synonyms> (29)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (29)
Angiogenesis

>  <Form> (29)
Free Base

>  <CAS> (29)
54-85-3

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

$$$$
untitled.cdx
csChFnd80/06182009362D

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376348-65-1

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$$$$
CP-690550.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (35)
590

>  <Formula> (35)
C16H20N6O

>  <MolWeight> (35)
312.3696

>  <Cat> (35)
S2789

>  <Name> (35)
Tofacitinib (CP-690550, Tasocitinib)

>  <Synonyms> (35)
Tasocitinib 

>  <Target> (35)
JAK

>  <Form> (35)
Free Base

>  <CAS> (35)
477600-75-2

>  <URL> (35)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (36)
610

>  <Formula> (36)
C41H42N4O8

>  <MolWeight> (36)
718.79418

>  <Cat> (36)
S1786

>  <Name> (36)
Verteporfin (Visudyne)

>  <Synonyms> (36)
Visudyne

>  <Target> (36)
5-alpha Reductase 

>  <Form> (36)
Free Base

>  <CAS> (36)
129497-78-5

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

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/06182009362D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (37)
633

>  <Formula> (37)
C33H34N6O6

>  <MolWeight> (37)
610.65966

>  <Cat> (37)
S2037

>  <Name> (37)
Candesartan cilexetil (Atacand)

>  <Synonyms> (37)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (37)
RAAS

>  <Form> (37)
Free Base

>  <CAS> (37)
145040-37-5

>  <URL> (37)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

$$$$
E7080.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (38)
641

>  <Formula> (38)
C21H19ClN4O4

>  <MolWeight> (38)
426.85296

>  <Cat> (38)
S1164

>  <Name> (38)
E7080 (Lenvatinib)

>  <Synonyms> (38)
N/A

>  <Target> (38)
VEGFR

>  <Form> (38)
Free Base

>  <CAS> (38)
417716-92-8

>  <URL> (38)
http://www.selleckchem.com/products/E7080.html

$$$$
Moguisteine.cdx
csChFnd80/06182009362D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
650

>  <Formula> (39)
C16H21NO5S

>  <MolWeight> (39)
339.40664

>  <Cat> (39)
S3104

>  <Name> (39)
Moguisteine

>  <Synonyms> (39)
N/A 

>  <Target> (39)
Others

>  <Form> (39)
Free Base

>  <CAS> (39)
119637-67-1

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

$$$$
LDE225.cdx
csChFnd80/06182009362D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (40)
653

>  <Formula> (40)
C26H26F3N3O3

>  <MolWeight> (40)
485.4981496

>  <Cat> (40)
S2151

>  <Name> (40)
LDE225 (NVP-LDE225, Erismodegib)

>  <Synonyms> (40)
N/A 

>  <Target> (40)
Smoothened

>  <Form> (40)
Free Base

>  <CAS> (40)
956697-53-3

>  <URL> (40)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

$$$$
MLN2238.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (41)
663

>  <Formula> (41)
C14H19BCl2N2O4

>  <MolWeight> (41)
361.02866

>  <Cat> (41)
S2180

>  <Name> (41)
Ixazomib (MLN2238)

>  <Synonyms> (41)
N/A

>  <Target> (41)
Proteasome 

>  <Form> (41)
Free Base

>  <CAS> (41)
1072833-77-2

>  <URL> (41)
http://www.selleckchem.com/products/MLN-2238.html

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (42)
664

>  <Formula> (42)
C19H19ClN2

>  <MolWeight> (42)
310.82056

>  <Cat> (42)
S4012

>  <Name> (42)
Desloratadine 

>  <Synonyms> (42)
N/A

>  <Target> (42)
Histamine Receptor

>  <Form> (42)
Free Base

>  <CAS> (42)
100643-71-8

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

$$$$

csChFnd80/06182009362D

 52 54  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    4.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    4.2962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4243    7.0993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8512    4.2962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0662    4.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0662    6.3962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8512    7.0993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4274    2.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    2.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    2.8962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4274    8.4993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    8.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1274    9.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0636    7.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    3.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488   10.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344    8.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    6.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4185    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6309    7.4586    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8433    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0558    7.4586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0558    8.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    9.5586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6309    8.8586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8433   10.9537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2640    6.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4227    9.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6351   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0516   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2157    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2157    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4281    1.3523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6406    2.0523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6406    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4281    4.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8488    4.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4181    0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8488    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7704    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9414    2.6368    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
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  4 12  1  0  0  0  0
  3  9  1  0  0  0  0
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 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 12 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  1  0  0  0
  6 19  1  1  0  0  0
  8 20  1  1  0  0  0
  3 21  1  1  0  0  0
  2 22  1  1  0  0  0
 15 23  1  6  0  0  0
  4 24  1  6  0  0  0
  1 25  1  6  0  0  0
  2 26  1  6  0  0  0
 21 27  1  0  0  0  0
  8 28  1  6  0  0  0
  7 29  1  6  0  0  0
 30 29  1  1  0  0  0
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 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 30  1  0  0  0  0
 34 36  1  1  0  0  0
 32 37  1  1  0  0  0
 35 38  1  6  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
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 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 41  1  0  0  0  0
 45 47  1  1  0  0  0
 43 48  1  1  0  0  0
 43 49  1  6  0  0  0
 44 50  1  6  0  0  0
 49 51  1  0  0  0  0
  5 52  1  1  0  0  0
 52 41  1  6  0  0  0
M  END
>  <Mol_ID> (43)
705

>  <Formula> (43)
C38H72N2O12

>  <MolWeight> (43)
748.98448

>  <Cat> (43)
s1835

>  <Name> (43)
Azithromycin

>  <Synonyms> (43)
CP-62993, XZ-450

>  <Target> (43)
autophagy

>  <Form> (43)
Free Base

>  <CAS> (43)
83905-01-5

>  <URL> (43)
http://www.selleckchem.com/products/azithromycin-zithromax.h

$$$$
Cyclosporin A.cdx
csChFnd80/06182009362D

 85 85  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3663   10.5244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5788   11.2244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5788   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   13.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   14.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4116    2.8049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6415    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9867    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7065    5.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1141    5.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5189    5.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8165    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9837   11.2244    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (44)
716

>  <Formula> (44)
C62H111N11O12

>  <MolWeight> (44)
1202.61124

>  <Cat> (44)
S2286

>  <Name> (44)
Cyclosporin A

>  <Synonyms> (44)
Cyclosporine A

>  <Target> (44)
phosphatase

>  <Form> (44)
Free Base

>  <CAS> (44)
59865-13-3

>  <URL> (44)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

$$$$
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Free Base

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152459-95-5

>  <URL> (45)
http://www.selleckchem.com/products/Imatinib(STI571).html

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Free Base

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936563-96-1

>  <URL> (46)
http://www.selleckchem.com/products/pci-32765.html

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>  <CAS> (47)
366789-02-8

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

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870281-82-6

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Syk

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901119-35-5

>  <URL> (49)
http://www.selleckchem.com/products/R7935788-Fostamatinib.html

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MEK 

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871700-17-3

>  <URL> (50)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

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Medroxyprogesterone acetate

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Medroxyprogesterone 17-acetate, MPA 

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Estrogen/progestogen Receptor

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Free Base

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71-58-9

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

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M  END
>  <Mol_ID> (52)
947

>  <Formula> (52)
C24H25ClFN5O2

>  <MolWeight> (52)
469.9390032

>  <Cat> (52)
S2727

>  <Name> (52)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (52)
N/A

>  <Target> (52)
EGFR

>  <Form> (52)
Free Base

>  <CAS> (52)
1110813-31-4

>  <URL> (52)
http://www.selleckchem.com/products/pf299804.html

$$$$
Linagliptin.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (53)
950

>  <Formula> (53)
C25H28N8O2

>  <MolWeight> (53)
472.54222

>  <Cat> (53)
S3031

>  <Name> (53)
Linagliptin (BI-1356)

>  <Synonyms> (53)
N/A 

>  <Target> (53)
DPP-4

>  <Form> (53)
Free Base

>  <CAS> (53)
668270-12-0

>  <URL> (53)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

$$$$
Captopril.cdx
csChFnd80/06182009362D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (54)
1013

>  <Formula> (54)
C9H15NO3S

>  <MolWeight> (54)
217.2853

>  <Cat> (54)
S2051

>  <Name> (54)
Captopril (Capoten)

>  <Synonyms> (54)
N/A 

>  <Target> (54)
RAAS

>  <Form> (54)
Free Base

>  <CAS> (54)
62571-86-2

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

$$$$
carfilzomib(PR-171).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (55)
1073

>  <Formula> (55)
C40H57N5O7

>  <MolWeight> (55)
719.90988

>  <Cat> (55)
S2853

>  <Name> (55)
Carfilzomib (PR-171)

>  <Synonyms> (55)
N/A 

>  <Target> (55)
Proteasome

>  <Form> (55)
Free Base

>  <CAS> (55)
868540-17-4

>  <URL> (55)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/06182009362D

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1111

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C22H19ClO3

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366.83746

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Atovaquone (Atavaquone)

>  <Synonyms> (56)
N/A

>  <Target> (56)
Antifection

>  <Form> (56)
Free Base

>  <CAS> (56)
95233-18-4

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

$$$$
Triptolide.cdx
csChFnd80/06182009362D

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1125

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C20H24O6

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360.40096

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Triptolide

>  <Synonyms> (57)
N/A

>  <Target> (57)
NF-¦ÊB

>  <Form> (57)
Free Base

>  <CAS> (57)
38748-32-2

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

$$$$
Pirfenidone.cdx
csChFnd80/06182009362D

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1127

>  <Formula> (58)
C12H11NO

>  <MolWeight> (58)
185.22184

>  <Cat> (58)
S2907

>  <Name> (58)
Pirfenidone

>  <Synonyms> (58)
N/A

>  <Target> (58)
TGF-beta/Smad

>  <Form> (58)
Free Base

>  <CAS> (58)
53179-13-8

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

$$$$
Argatroban.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (59)
1201

>  <Formula> (59)
C23H36N6O5S

>  <MolWeight> (59)
508.63414

>  <Cat> (59)
S2069

>  <Name> (59)
Argatroban

>  <Synonyms> (59)
N/A

>  <Target> (59)
Thrombin

>  <Form> (59)
Free Base

>  <CAS> (59)
74863-84-6

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

$$$$
Pazopanib.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (60)
1234

>  <Formula> (60)
C21H23N7O2S

>  <MolWeight> (60)
437.51802

>  <Cat> (60)
S3012

>  <Name> (60)
Pazopanib

>  <Synonyms> (60)
N/A

>  <Target> (60)
VEGFR

>  <Form> (60)
Free Base

>  <CAS> (60)
444731-52-6

>  <URL> (60)
http://www.selleckchem.com/products/pazopanib.html

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (61)
1238

>  <Formula> (61)
C25H35N3O6S

>  <MolWeight> (61)
505.6269

>  <Cat> (61)
S1639

>  <Name> (61)
Amprenavir (Agenerase)

>  <Synonyms> (61)
Agenerase

>  <Target> (61)
HIV Protease

>  <Form> (61)
Free Base

>  <CAS> (61)
161814-49-9

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

$$$$
PF-06405761.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (62)
1265

>  <Formula> (62)
C16H17N3O4S

>  <MolWeight> (62)
347.38888

>  <Cat> (62)
S1216

>  <Name> (62)
PFI-1(PF-6405761) 

>  <Synonyms> (62)
PF-06405761

>  <Target> (62)
Epigenetic Reader Domain

>  <Form> (62)
Free Base

>  <CAS> (62)
1403764-72-6

>  <URL> (62)
http://www.selleckchem.com/products/pfl-1.html

$$$$
Pirarubicin.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (63)
1317

>  <Formula> (63)
C32H37NO12

>  <MolWeight> (63)
627.63568

>  <Cat> (63)
S1393

>  <Name> (63)
Pirarubicin

>  <Synonyms> (63)
N/A

>  <Target> (63)
Topoisomerase

>  <Form> (63)
Free Base

>  <CAS> (63)
72496-41-4

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

$$$$
Clofazimine.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (64)
1356

>  <Formula> (64)
C27H22Cl2N4

>  <MolWeight> (64)
473.39638

>  <Cat> (64)
S4107

>  <Name> (64)
Clofazimine

>  <Synonyms> (64)
N/A

>  <Target> (64)
Phospholipase (e.g. PLA)

>  <Form> (64)
Free Base

>  <CAS> (64)
2030-63-9

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

$$$$
Diminazene aceturate.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (65)
1403

>  <Formula> (65)
C22H29N9O6

>  <MolWeight> (65)
515.52236

>  <Cat> (65)
S4104

>  <Name> (65)
Diminazene Aceturate

>  <Synonyms> (65)
N/A

>  <Target> (65)
Others

>  <Form> (65)
Aceturate

>  <CAS> (65)
908-54-3

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

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (66)
1487

>  <Formula> (66)
C22H29FN3O9P

>  <MolWeight> (66)
529.4525242

>  <Cat> (66)
S2794

>  <Name> (66)
Sofosbuvir(PSI-7977)

>  <Synonyms> (66)
N/A

>  <Target> (66)
DNA/RNA Synthesis

>  <Form> (66)
Free Base

>  <CAS> (66)
1190307-88-0

>  <URL> (66)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (67)
1495

>  <Formula> (67)
C36H53N7O6

>  <MolWeight> (67)
679.84932

>  <Cat> (67)
S1538

>  <Name> (67)
Telaprevir (VX-950)

>  <Synonyms> (67)
LY-570310, MP-424

>  <Target> (67)
HCV Protease

>  <Form> (67)
Free Base

>  <CAS> (67)
402957-28-2

>  <URL> (67)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

$$$$
Vinorelbine tartrate.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (68)
1499

>  <Formula> (68)
C53H66N4O20

>  <MolWeight> (68)
1079.10594

>  <Cat> (68)
S4269

>  <Name> (68)
Vinorelbine Tartrate

>  <Synonyms> (68)
N/A

>  <Target> (68)
Microtubule Associated

>  <Form> (68)
Tartrate

>  <CAS> (68)
125317-39-7

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/06182009362D

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>  <Mol_ID> (69)
1535

>  <Formula> (69)
C44H69NO12

>  <MolWeight> (69)
804.01816

>  <Cat> (69)
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>  <Name> (69)
Tacrolimus (FK506)

>  <Synonyms> (69)
FR900506

>  <Target> (69)
mTOR

>  <Form> (69)
Free Base

>  <CAS> (69)
104987-11-3

>  <URL> (69)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
R-Ruxolitinib.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (70)
1537

>  <Formula> (70)
C17H18N6

>  <MolWeight> (70)
306.36502

>  <Cat> (70)
S1378

>  <Name> (70)
Ruxolitinib (INCB018424)

>  <Synonyms> (70)
N/A

>  <Target> (70)
JAK

>  <Form> (70)
Free Base

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

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

$$$$
Temsirolimus.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (71)
1538

>  <Formula> (71)
C56H87NO16

>  <MolWeight> (71)
1030.28708

>  <Cat> (71)
S1044

>  <Name> (71)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (71)
N/A

>  <Target> (71)
mTOR

>  <Form> (71)
Free Base

>  <CAS> (71)
162635-04-3

>  <URL> (71)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
PF-2341066.cdx
csChFnd80/06182009362D

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  9 30  1  1  0  0  0
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M  END
>  <Mol_ID> (72)
1550

>  <Formula> (72)
C21H22Cl2FN5O

>  <MolWeight> (72)
450.3366832

>  <Cat> (72)
S1068

>  <Name> (72)
Crizotinib (PF-02341066)

>  <Synonyms> (72)
N/A 

>  <Target> (72)
c-Met, ALK

>  <Form> (72)
Free Base

>  <CAS> (72)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (72)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/06182009362D

  6  4  0  0  0  0  0  0  0  0999 V2000
    2.4247    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (73)
1593

>  <Formula> (73)
CH7ClN4

>  <MolWeight> (73)
110.54608

>  <Cat> (73)
S4548

>  <Name> (73)
Aminoguanidine (hydrochloride)

>  <Synonyms> (73)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (73)
Others

>  <Form> (73)
hydrochloride

>  <CAS> (73)
1937-19-5

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

$$$$
S4625 Alcaftadine.cdx
csChFnd80/06182009362D

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    2.3905    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  5  1  0  0  0  0
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 14  8  1  0  0  0  0
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 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (74)
1632

>  <Formula> (74)
C19H21N3O

>  <MolWeight> (74)
307.38954

>  <Cat> (74)
S4625

>  <Name> (74)
Alcaftadine

>  <Synonyms> (74)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (74)
Histamine Receptor

>  <Form> (74)
Free Base

>  <CAS> (74)
147084-10-4

>  <URL> (74)
http://www.selleckchem.com/products/alcaftadine.html

$$$$
Atazanavir.cdx
csChFnd80/06182009362D

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   13.3452    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (75)
1695

>  <Formula> (75)
C38H52N6O7

>  <MolWeight> (75)
704.85548

>  <Cat> (75)
S4662

>  <Name> (75)
Atazanavir

>  <Synonyms> (75)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (75)
HIV Protease

>  <Form> (75)
Free Base

>  <CAS> (75)
198904-31-3

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

$$$$
AT-406.cdx
csChFnd80/06182009362D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
1696

>  <Formula> (76)
C32H43N5O4

>  <MolWeight> (76)
561.71492

>  <Cat> (76)
S2754

>  <Name> (76)
AT-406

>  <Synonyms> (76)
N/A

>  <Target> (76)
IAP

>  <Form> (76)
Free Base

>  <CAS> (76)
1071992-99-8, 1071992-57-8 (HCl)

>  <URL> (76)
http://www.selleckchem.com/products/at-406.html

$$$$
MK4827.cdx
csChFnd80/06182009362D

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C19H20N4O

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N/A

>  <Target> (77)
PARP

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Free Base

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1038915-60-4

>  <URL> (77)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4747 Jervine.cdx
csChFnd80/06182009362D

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1727

>  <Formula> (78)
C27H39NO3

>  <MolWeight> (78)
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>  <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

$$$$
S3728 Grazoprevir.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (79)
1805

>  <Formula> (79)
C38H50N6O9S

>  <MolWeight> (79)
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>  <Cat> (79)
S3728

>  <Name> (79)
Grazoprevir

>  <Synonyms> (79)
MK5172

>  <Target> (79)
Hepatitis C Virus NS3/4A Protease

>  <Form> (79)
free base

>  <CAS> (79)
1350514-68-9

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

$$$$
S3714 Lifitegrast.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (80)
1833

>  <Formula> (80)
C29H24Cl2N2O7S

>  <MolWeight> (80)
615.48106

>  <Cat> (80)
S3714

>  <Name> (80)
Lifitegrast

>  <Synonyms> (80)
SAR1118

>  <Target> (80)
Integrin

>  <Form> (80)
free base

>  <CAS> (80)
1025967-78-5

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

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (81)
1852

>  <Formula> (81)
C14H12O2

>  <MolWeight> (81)
212.24388

>  <Cat> (81)
S3685

>  <Name> (81)
4-Biphenylacetic acid

>  <Synonyms> (81)
BPA

>  <Target> (81)
Immunology & Inflammation related

>  <Form> (81)
free base

>  <CAS> (81)
5728-52-9

>  <URL> (81)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/06182009362D

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>  <Mol_ID> (82)
1854

>  <Formula> (82)
C27H45N5O5

>  <MolWeight> (82)
519.6767

>  <Cat> (82)
S3733

>  <Name> (82)
Boceprevir

>  <Synonyms> (82)
N/A

>  <Target> (82)
hepatitis C virus (HCV) protease

>  <Form> (82)
free base

>  <CAS> (82)
394730-60-0

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

$$$$
10058-F4.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (83)
2025

>  <Formula> (83)
C12H11NOS2

>  <MolWeight> (83)
249.35184

>  <Cat> (83)
S7153

>  <Name> (83)
10058-F4

>  <Synonyms> (83)
N/A

>  <Target> (83)
c-Myc

>  <Form> (83)
Free Base

>  <CAS> (83)
403811-55-2

>  <URL> (83)
https://www.selleckchem.com/products/10058-f4.html

$$$$
LDK378.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (84)
2035

>  <Formula> (84)
C28H36ClN5O3S

>  <MolWeight> (84)
558.13514

>  <Cat> (84)
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>  <Name> (84)
Ceritinib (LDK378)

>  <Synonyms> (84)
N/A

>  <Target> (84)
ALK

>  <Form> (84)
Free Base

>  <CAS> (84)
1032900-25-6

>  <URL> (84)
http://www.selleckchem.com/products/ldk378.html

$$$$
S4935 Asunaprevir.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (85)
2169

>  <Formula> (85)
C35H46ClN5O9S

>  <MolWeight> (85)
748.28584

>  <Cat> (85)
S4935

>  <Name> (85)
Asunaprevir

>  <Synonyms> (85)
BMS-650032

>  <Target> (85)
hepatitis C virus enzyme serine protease NS

>  <Form> (85)
free base

>  <CAS> (85)
630420-16-5

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

$$$$
S5015 Simeprevir.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (86)
2171

>  <Formula> (86)
C38H47N5O7S2

>  <MolWeight> (86)
749.93908

>  <Cat> (86)
S5015

>  <Name> (86)
TMC-435, TMC-435350

>  <Synonyms> (86)
TMC-435, TMC-435350

>  <Target> (86)
HCV NS3/4A protease

>  <Form> (86)
free base

>  <CAS> (86)
923604-59-5

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

$$$$
untitled.cdx
csChFnd80/06182009362D

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N/A

>  <Target> (87)
VEGFR

>  <Form> (87)
Free Base

>  <CAS> (87)
443913-73-3

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

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>  <Target> (88)
CXCR

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110078-46-1

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>  <MolWeight> (89)
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>  <Cat> (89)
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>  <Synonyms> (89)
N/A

>  <Target> (89)
PI3K

>  <Form> (89)
Free Base

>  <CAS> (89)
1201438-56-3

>  <URL> (89)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
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>  <Mol_ID> (90)
2349

>  <Formula> (90)
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Venetoclax (ABT-199, GDC-0199)

>  <Synonyms> (90)
N/A

>  <Target> (90)
Bcl-2

>  <Form> (90)
Free Base

>  <CAS> (90)
1257044-40-8

>  <URL> (90)
http://www.selleckchem.com/products/abt-199.html

$$$$
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csChFnd80/06182009362D

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>  <Mol_ID> (91)
2350

>  <Formula> (91)
C42H56F2N8O6

>  <MolWeight> (91)
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>  <Cat> (91)
S7015

>  <Name> (91)
Birinapant (TL32711)

>  <Synonyms> (91)
N/A

>  <Target> (91)
Caspase

>  <Form> (91)
Free Base

>  <CAS> (91)
1260251-31-7

>  <URL> (91)
http://www.selleckchem.com/products/birinapant-tl32711.html

$$$$
(+)-JQ1.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (92)
2355

>  <Formula> (92)
C23H25ClN4O2S

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>  <Cat> (92)
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(+)-JQ1

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BET

>  <Form> (92)
Free Base

>  <CAS> (92)
1268524-70-4

>  <URL> (92)
http://www.selleckchem.com/products/jq1.html

$$$$
Embelin.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (93)
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>  <Formula> (93)
C17H26O4

>  <MolWeight> (93)
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Embelin

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Embelic Acid

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IAP

>  <Form> (93)
Free Base

>  <CAS> (93)
550-24-3

>  <URL> (93)
https://www.selleckchem.com/products/embelin.html

$$$$
GDC-0152.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (94)
2490

>  <Formula> (94)
C25H34N6O3S

>  <MolWeight> (94)
498.64086

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S7010

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GDC-0152

>  <Synonyms> (94)
N/A

>  <Target> (94)
IAP

>  <Form> (94)
Free Base

>  <CAS> (94)
873652-48-3

>  <URL> (94)
http://www.selleckchem.com/products/gdc-0152.html

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (95)
2539

>  <Formula> (95)
C25H29N3O3

>  <MolWeight> (95)
419.51606

>  <Cat> (95)
S7912

>  <Name> (95)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (95)
N/A

>  <Target> (95)
PD-1/PD-L1

>  <Form> (95)
Free Base

>  <CAS> (95)
1675203-84-5

>  <URL> (95)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
MCB-613.cdx
csChFnd80/06182009362D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (96)
2543

>  <Formula> (96)
C20H20N2O

>  <MolWeight> (96)
304.3856

>  <Cat> (96)
S7913

>  <Name> (96)
MCB-613

>  <Synonyms> (96)
N/A

>  <Target> (96)
Others

>  <Form> (96)
Free Base

>  <CAS> (96)
1162656-22-5

>  <URL> (96)
http://www.selleckchem.com/products/mcb-613.html

$$$$
14028-44-5.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (97)
2607

>  <Formula> (97)
C17H16ClN3O

>  <MolWeight> (97)
313.78144

>  <Cat> (97)
S4218

>  <Name> (97)
Amoxapine

>  <Synonyms> (97)
N/A

>  <Target> (97)
GlyT

>  <Form> (97)
Free Base

>  <CAS> (97)
14028-44-5

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

$$$$
NSC 405020.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (98)
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>  <Formula> (98)
C12H15Cl2NO

>  <MolWeight> (98)
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>  <Cat> (98)
S8072

>  <Name> (98)
NSC 405020

>  <Synonyms> (98)
STK029746

>  <Target> (98)
MMP

>  <Form> (98)
Free Base

>  <CAS> (98)
2044451

>  <URL> (98)
http://www.selleckchem.com/products/nsc-405020.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (99)
2621

>  <Formula> (99)
C17H15BrF2N4O3

>  <MolWeight> (99)
441.2268064

>  <Cat> (99)
S7007

>  <Name> (99)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (99)
N/A

>  <Target> (99)
MEK

>  <Form> (99)
Free Base

>  <CAS> (99)
606143-89-9

>  <URL> (99)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/06182009362D

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>  <Mol_ID> (100)
2627

>  <Formula> (100)
C22H22ClN5O2

>  <MolWeight> (100)
423.89538

>  <Cat> (100)
S7189

>  <Name> (100)
I-BET-762

>  <Synonyms> (100)
GSK525762, GSK525762A

>  <Target> (100)
Epigenetic Reader Domain

>  <Form> (100)
Free Base

>  <CAS> (100)
1260907-17-2

>  <URL> (100)
http://www.selleckchem.com/products/i-bet-762.html

$$$$
terfenadine.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (101)
2707

>  <Formula> (101)
C32H41NO2

>  <MolWeight> (101)
471.67344

>  <Cat> (101)
S4353

>  <Name> (101)
terfenadine

>  <Synonyms> (101)
N/A

>  <Target> (101)
Others

>  <Form> (101)
Free Base

>  <CAS> (101)
50679-08-8

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

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (102)
2715

>  <Formula> (102)
C20H22N2O5

>  <MolWeight> (102)
370.39908

>  <Cat> (102)
S7295

>  <Name> (102)
RVX-208(RVX-000222)

>  <Synonyms> (102)
RVX-000222

>  <Target> (102)
Epigenetic Reader Domain

>  <Form> (102)
Free Base

>  <CAS> (102)
1044870-39-4

>  <URL> (102)
http://www.selleckchem.com/products/rvx-208.html

$$$$
Sorafenib.cdx
csChFnd80/06182009362D

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313553-47-8

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INH6.cdx
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INH6

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N/A

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Microtubule Associated

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Free Base

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1001753-24-7

>  <URL> (112)
http://www.selleckchem.com/products/inh6.html

$$$$
CPI203 .cdx
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2849

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C19H18ClN5OS

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399.89712

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CPI-203

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N/A

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Epigenetic Reader Domain

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Free Base

>  <CAS> (113)
1446144-04-2

>  <URL> (113)
http://www.selleckchem.com/products/cpi-203.html

$$$$
deltarasin.cdx
csChFnd80/06182009362D

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C40H37N5O

>  <MolWeight> (114)
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PDE

>  <Form> (114)
Free Base

>  <CAS> (114)
1440898-61-2

>  <URL> (114)
http://www.selleckchem.com/products/deltarasin.html

$$$$
LCL161.cdx
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M  END
>  <Mol_ID> (115)
2899

>  <Formula> (115)
C26H33FN4O3S

>  <MolWeight> (115)
500.6286232

>  <Cat> (115)
S7009

>  <Name> (115)
LCL161

>  <Synonyms> (115)
N/A

>  <Target> (115)
IAP

>  <Form> (115)
Free Base

>  <CAS> (115)
1005342-46-0

>  <URL> (115)
http://www.selleckchem.com/products/lcl161.html

$$$$
MI-3.cdx
csChFnd80/06182009362D

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 18 24  1  0  0  0  0
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M  END
>  <Mol_ID> (116)
2913

>  <Formula> (116)
C18H25N5S2

>  <MolWeight> (116)
375.5546

>  <Cat> (116)
S7619

>  <Name> (116)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (116)
N/A

>  <Target> (116)
Histone Methyltransferase

>  <Form> (116)
Free Base

>  <CAS> (116)
1271738-59-0

>  <URL> (116)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
Heparin sodium.cdx
csChFnd80/06182009362D

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A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (117)
2920

>  <Formula> (117)
C33H47N3O39R4S6-8

>  <MolWeight> (117)
1302.11298

>  <Cat> (117)
S1346

>  <Name> (117)
Heparin sodium

>  <Synonyms> (117)
N/A

>  <Target> (117)
Others

>  <Form> (117)
Sodium salt

>  <CAS> (117)
2608411

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

$$$$
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csChFnd80/06182009362D

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>  <Mol_ID> (118)
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>  <MolWeight> (118)
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>  <Cat> (118)
S8065

>  <Name> (118)
Nutlin-3b

>  <Synonyms> (118)
(+)-Nutlin-3

>  <Target> (118)
Mdm2

>  <Form> (118)
Free Base

>  <CAS> (118)
675576-97-3

>  <URL> (118)
http://www.selleckchem.com/products/nutlin-3b.html

$$$$
RG7388.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (119)
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>  <Name> (119)
Idasanutlin (RG-7388)

>  <Synonyms> (119)
N/A

>  <Target> (119)
Mdm2

>  <Form> (119)
Free Base

>  <CAS> (119)
1229705-06-9

>  <URL> (119)
http://www.selleckchem.com/products/idasanutlin-rg-7388.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/06182009362D

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>  <Mol_ID> (120)
2938

>  <Formula> (120)
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>  <MolWeight> (120)
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>  <Cat> (120)
S7618

>  <Name> (120)
MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (120)
N/A

>  <Target> (120)
Histone Methyltransferase

>  <Form> (120)
Free Base

>  <CAS> (120)
1271738-62-5

>  <URL> (120)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
PF-06463922.cdx
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>  <Target> (122)
HCV Protease

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Free Base

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1256388-51-8

>  <URL> (122)
http://www.selleckchem.com/products/ledipasvir-gs5885.html

$$$$
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1300031-52-0

>  <URL> (123)
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Microtubule Associated

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Free Base

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1334921-03-7

>  <URL> (124)
http://www.selleckchem.com/products/tai-1.html

$$$$
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N/A

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Epigenetic Reader Domain

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Free Base

>  <CAS> (125)
1395084-25-9

>  <URL> (125)
http://www.selleckchem.com/products/ms436.html

$$$$
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C22H23N3O4

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Erlotinib

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CP358774, NSC 718781

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EGFR

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Free Base

>  <CAS> (126)
183321-74-6

>  <URL> (126)
http://www.selleckchem.com/products/erlotinib.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/06182009362D

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MEK

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934660-93-2

>  <URL> (127)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/06182009362D

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ERK

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http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
RG7112 (RO5045337).cdx
csChFnd80/06182009362D

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   12.9649    6.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6624    4.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7722    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2852    7.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3517    8.3334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7534    8.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5491   10.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3449   11.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9138   10.3659    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  1  0  0  0
  1 15  1  1  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 14  1  0  0  0  0
 15 21  2  0  0  0  0
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 22 23  2  0  0  0  0
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 25 15  1  0  0  0  0
 23 26  1  0  0  0  0
 18 27  1  0  0  0  0
  1 28  1  6  0  0  0
  2 29  1  6  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
  7 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
  5 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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M  END
>  <Mol_ID> (129)
3074

>  <Formula> (129)
C38H48Cl2N4O4S

>  <MolWeight> (129)
727.78312

>  <Cat> (129)
S7030

>  <Name> (129)
RG7112 (RO5045337)

>  <Synonyms> (129)
RO5045337

>  <Target> (129)
Mdm2

>  <Form> (129)
Free Base

>  <CAS> (129)
939981-39-2

>  <URL> (129)
http://www.selleckchem.com/products/rg-7112.html

$$$$
Vorapaxar (SCH 530348).cdx
csChFnd80/06182009362D

 40 44  0  0  0  0  0  0  0  0999 V2000
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    1.0595    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    6.0453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1595    6.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5921   12.2266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4595   13.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   12.6577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9190   12.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3595    8.4702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4522    9.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4522   12.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0522   12.1033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5473   10.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2473    9.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3473   10.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2473   12.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (130)
3087

>  <Formula> (130)
C29H33FN2O4

>  <MolWeight> (130)
492.5817232

>  <Cat> (130)
S8067

>  <Name> (130)
Vorapaxar (SCH 530348)

>  <Synonyms> (130)
SCH 530348, MK-5348

>  <Target> (130)
Protease-activated Receptor

>  <Form> (130)
Free Base

>  <CAS> (130)
618385-01-6

>  <URL> (130)
http://www.selleckchem.com/products/vorapaxar.html

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/06182009362D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 12  7  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 32 33  1  6  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (131)
3139

>  <Formula> (131)
C29H33NO5

>  <MolWeight> (131)
475.57602

>  <Cat> (131)
S7911

>  <Name> (131)
PD-1/PD-L1 inhibitor 1

>  <Synonyms> (131)
N/A

>  <Target> (131)
PD-1/PD-L1

>  <Form> (131)
Free Base

>  <CAS> (131)
1675201-83-8

>  <URL> (131)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/06182009362D

 41 45  0  0  0  0  0  0  0  0999 V2000
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    0.3084    7.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    4.6789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (136)
3228

>  <Formula> (136)
C21H22N4O2

>  <MolWeight> (136)
362.42498

>  <Cat> (136)
S8248

>  <Name> (136)
IQ-1

>  <Synonyms> (136)
N/A

>  <Target> (136)
Wnt/beta-catenin

>  <Form> (136)
Free Base

>  <CAS> (136)
331001-62-8

>  <URL> (136)
http://www.selleckchem.com/products/iq-1.html

$$$$

csChFnd80/06182009362D

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A    1
No structure
M  END
>  <Mol_ID> (137)
3255

>  <Formula> (137)
R

>  <Cat> (137)
S7377

>  <Name> (137)
Aprotinin

>  <Synonyms> (137)
N/A

>  <Target> (137)
Serine Protease

>  <CAS> (137)
9087-70-1

>  <URL> (137)
http://www.selleckchem.com/products/aprotinin.html

$$$$
NSC228155.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (138)
3285

>  <Formula> (138)
C11H6N4O4S

>  <MolWeight> (138)
290.25474

>  <Cat> (138)
S8312

>  <Name> (138)
NSC228155

>  <Synonyms> (138)
N/A

>  <Target> (138)
EGFR

>  <Form> (138)
Free Base

>  <CAS> (138)
113104-25-9

>  <URL> (138)
http://www.selleckchem.com/products/nsc228155.html

$$$$
Alantolactone.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (139)
3303

>  <Formula> (139)
C15H20O2

>  <MolWeight> (139)
232.3181

>  <Cat> (139)
S8318

>  <Name> (139)
Alantolactone

>  <Synonyms> (139)
helenin, helenine, Eupatal

>  <Target> (139)
Others

>  <Form> (139)
Free Base

>  <CAS> (139)
546-43-0

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

$$$$
SKL2001.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (140)
3305

>  <Formula> (140)
C14H14N4O3

>  <MolWeight> (140)
286.28596

>  <Cat> (140)
S8320

>  <Name> (140)
SKL2001

>  <Synonyms> (140)
N/A

>  <Target> (140)
Wnt/beta-catenin

>  <Form> (140)
Free Base

>  <CAS> (140)
909089-13-0

>  <URL> (140)
http://www.selleckchem.com/products/skl2001.html

$$$$
OICR-9429.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (141)
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OICR-9429

>  <Synonyms> (141)
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>  <Target> (141)
Histone Methyltransferase

>  <Form> (141)
Free Base

>  <CAS> (141)
1801787-56-3

>  <URL> (141)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
untitled.cdx
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>  <Mol_ID> (142)
3309

>  <Formula> (142)
C38H47ClN4O4

>  <MolWeight> (142)
659.25718

>  <Cat> (142)
S7875

>  <Name> (142)
NVP-CGM097

>  <Synonyms> (142)
CGM-097, CGM 097, CGM 097, NVP CGM097

>  <Target> (142)
E3 Ligase

>  <Form> (142)
Free Base

>  <CAS> (142)
1313363-54-0

>  <URL> (142)
http://www.selleckchem.com/products/nvp-cgm097.html

$$$$
UNC3866.cdx
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>  <Mol_ID> (143)
3332

>  <Formula> (143)
C43H66N6O8

>  <MolWeight> (143)
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>  <Cat> (143)
S8359

>  <Name> (143)
UNC3866

>  <Synonyms> (143)
Free Base

>  <Target> (143)
Histone Methyltransferase

>  <Form> (143)
Free Base

>  <CAS> (143)
1872382-47-2

>  <URL> (143)
http://www.selleckchem.com/products/unc3866.html

$$$$
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1628317-18-9

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http://www.selleckchem.com/products/lf3.html

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2083627-02-3

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http://www.selleckchem.com/products/eed226.html

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866028-26-4

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M  END
>  <Mol_ID> (153)
3480

>  <Formula> (153)
C29H44N8O3

>  <MolWeight> (153)
552.71146

>  <Cat> (153)
S7754

>  <Name> (153)
Gilteritinib (ASP2215)

>  <Synonyms> (153)
N/A

>  <Target> (153)
FLT3,Axl 

>  <Form> (153)
free base

>  <CAS> (153)
1254053-43-4

>  <URL> (153)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
S3721 Bilastine.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (154)
3510

>  <Formula> (154)
C28H37N3O3

>  <MolWeight> (154)
463.61168

>  <Cat> (154)
S3721

>  <Name> (154)
Bilastine

>  <Synonyms> (154)
N/A

>  <Target> (154)
H1 receptor

>  <Form> (154)
free base

>  <CAS> (154)
202189-78-4

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

$$$$
SR-18292.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (155)
3646

>  <Formula> (155)
C23H30N2O2

>  <MolWeight> (155)
366.4965

>  <Cat> (155)
S8528

>  <Name> (155)
SR-18292

>  <Synonyms> (155)
N/A

>  <Target> (155)
Others

>  <Form> (155)
free base

>  <CAS> (155)
2095432-55-4

>  <URL> (155)
http://selleckchem.com/products/sr-18292.html

$$$$
S5246 Entecavir.cdx
csChFnd80/06182009362D

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 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (156)
3781

>  <Formula> (156)
C12H15N5O3

>  <MolWeight> (156)
277.2792

>  <Cat> (156)
S5246

>  <Name> (156)
Entecavir

>  <Synonyms> (156)
N/A

>  <Target> (156)
Reverse Transcriptase

>  <Form> (156)
free base

>  <CAS> (156)
142217-69-4

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

$$$$
S5250 Darunavir.cdx
csChFnd80/06182009362D

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3782

>  <Formula> (157)
C27H37N3O7S

>  <MolWeight> (157)
547.66358

>  <Cat> (157)
S5250

>  <Name> (157)
Darunavir

>  <Synonyms> (157)
TMC114

>  <Target> (157)
HIV Protease

>  <Form> (157)
free base

>  <CAS> (157)
206361-99-1

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

$$$$
S5588 Creatine.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (158)
4006

>  <Formula> (158)
C4H9N3O2

>  <MolWeight> (158)
131.13316

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S5588

>  <Name> (158)
Creatine

>  <Synonyms> (158)
Methylguanidoacetic acid

>  <Target> (158)
Others

>  <Form> (158)
free base

>  <CAS> (158)
57-00-1

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

$$$$
S5594 ¦Á-Terpineol.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (159)
4008

>  <Formula> (159)
C10H18O

>  <MolWeight> (159)
154.24932

>  <Cat> (159)
S5594

>  <Name> (159)
¦Á-Terpineol

>  <Synonyms> (159)
N/A

>  <Target> (159)
Others

>  <Form> (159)
free base

>  <CAS> (159)
10482-56-1

>  <URL> (159)
http://selleckchem.com/products/alpha-terpineol.html

$$$$
S5388 Betrixaban.cdx
csChFnd80/06182009362D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (160)
4054

>  <Formula> (160)
C23H22ClN5O3

>  <MolWeight> (160)
451.90548

>  <Cat> (160)
S5388

>  <Name> (160)
Betrixaban

>  <Synonyms> (160)
PRT054021

>  <Target> (160)
factor Xa(fXa)

>  <Form> (160)
free base

>  <CAS> (160)
330942-05-7

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

$$$$
S9409 Kavain.cdx
csChFnd80/06182009362D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (161)
4158

>  <Formula> (161)
C14H14O3

>  <MolWeight> (161)
230.25916

>  <Cat> (161)
S9409

>  <Name> (161)
Kavain

>  <Form> (161)
free base

>  <CAS> (161)
500-64-1

$$$$

csChFnd80/06182009362D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (162)
4259

>  <Formula> (162)
C17H13ClNO5P

>  <MolWeight> (162)
377.715581

>  <Cat> (162)
S8409

>  <Name> (162)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (162)
N/A

>  <Target> (162)
Epigenetic Reader Do

>  <Form> (162)
Free Base

>  <CAS> (162)
18228-17-6

>  <URL> (162)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/06182009362D

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    2.4700    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8949    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3198    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3198    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1073    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5322    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6095    4.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    3.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5801    2.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090    0.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7848    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
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  2  0  0  0  0
  3 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
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 18 27  2  0  0  0  0
 18 28  2  0  0  0  0
 18 29  1  0  0  0  0
M  END
>  <Mol_ID> (163)
4271

>  <Formula> (163)
C20H21N3O5S

>  <MolWeight> (163)
415.46284

>  <Cat> (163)
S8714

>  <Name> (163)
INCB057643

>  <Synonyms> (163)
N/A

>  <Target> (163)
Epigenetic Reader Do

>  <Form> (163)
Free Base

>  <CAS> (163)
1820889-23-3

>  <URL> (163)
http://www.selleckchem.com/products/incb057643.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/06182009362D

 40 44  0  0  0  0  0  0  0  0999 V2000
    9.6971    2.8320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3536    3.1498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3382    1.5555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4219    4.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    3.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274    2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2197    4.5434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0769    3.7797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6971    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7320    1.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5466    5.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1445    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1438    5.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8169    4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2358    6.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0344    6.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6497    8.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718    6.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4824    9.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0950    5.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5668    7.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5807   10.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8505   11.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267   11.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8740    9.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  6  0  0  0
  7 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  1  0  0  0
 26 27  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
>  <Mol_ID> (164)
4297

>  <Formula> (164)
C29H39NO9

>  <MolWeight> (164)
545.62126

>  <Cat> (164)
S9015

>  <Name> (164)
Homoharringtonine

>  <CAS> (164)
26833-87-4

$$$$
S9020 Dihydrotanshinone I.cdx
csChFnd80/06182009362D

 21 24  0  0  0  0  0  0  0  0999 V2000
    7.2368    0.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3694    2.1338    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5157    0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4098    3.0706    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  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 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
  9 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
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  7 18  2  0  0  0  0
  6 19  2  0  0  0  0
 13 20  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (165)
4299

>  <Formula> (165)
C18H14O3

>  <MolWeight> (165)
278.30196

>  <Cat> (165)
S9020

>  <Name> (165)
Dihydrotanshinone I

>  <Form> (165)
free base

>  <CAS> (165)
87205-99-0

$$$$
S9055 Salvianolic acid A.cdx
csChFnd80/06182009362D

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.6566    5.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    6.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499    3.4964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8856    3.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    3.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6566    4.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    4.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405    4.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    5.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3842    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    6.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    5.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9639    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5973    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    7.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1756    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1756    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5973    3.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9631    1.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3795    4.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9393    5.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3842    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    7.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9387    8.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8089    1.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  8  1  2  0  0  0  0
 11  2  2  0  0  0  0
 14  3  2  0  0  0  0
 28  3  1  0  0  0  0
  5  4  1  6  0  0  0
 21  4  2  0  0  0  0
 29  4  1  0  0  0  0
  5 10  1  0  0  0  0
 15  5  1  0  0  0  0
  6  8  1  0  0  0  0
  9  6  2  0  0  0  0
  7  9  1  0  0  0  0
 10  7  1  0  0  0  0
 22  7  2  0  0  0  0
 23  8  1  0  0  0  0
 25 11  1  0  0  0  0
 12 18  1  0  0  0  0
 16 12  2  0  0  0  0
 32 12  1  0  0  0  0
 13 20  1  0  0  0  0
 31 13  1  0  0  0  0
 13 17  2  0  0  0  0
 24 14  1  0  0  0  0
 34 14  1  0  0  0  0
 19 15  1  0  0  0  0
 36 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 35 17  1  0  0  0  0
 18 19  2  0  0  0  0
 30 19  1  0  0  0  0
 20 25  2  0  0  0  0
 23 24  2  0  0  0  0
 33 25  1  0  0  0  0
 26 30  2  0  0  0  0
 27 33  2  0  0  0  0
M  END
>  <Mol_ID> (166)
4316

>  <Formula> (166)
C26H22O10

>  <MolWeight> (166)
494.44688

>  <Cat> (166)
S9055

>  <Name> (166)
Salvianolic acid A

>  <Form> (166)
free base

>  <CAS> (166)
96574-01-5

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/06182009362D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    4.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (167)
4525

>  <Formula> (167)
C21H22O7

>  <MolWeight> (167)
386.39518

>  <Cat> (167)
S9315

>  <Name> (167)
Praeruptorin A

>  <Form> (167)
free base

>  <CAS> (167)
73069-25-7

$$$$
S5605 Tos-Arg-OMe.HCl.cdx
csChFnd80/06182009362D

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M  END
>  <Mol_ID> (168)
4598

>  <Formula> (168)
C14H23ClN4O4S

>  <MolWeight> (168)
378.87482

>  <Cat> (168)
S5605

>  <Name> (168)
Tos-Arg-OMe.HCl

>  <Target> (168)
Others

>  <Form> (168)
free base

>  <CAS> (168)
1784-03-8

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

$$$$
S5067 Losartan.cdx
csChFnd80/06182009362D

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>  <Mol_ID> (169)
4680

>  <Formula> (169)
C22H23ClN6O

>  <MolWeight> (169)
422.91062

>  <Cat> (169)
S5067

>  <Name> (169)
Losartan

>  <Target> (169)
Angiotensin Receptor

>  <Form> (169)
free base

>  <CAS> (169)
114798-26-4

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

$$$$
S5659 Emedastine.cdx
csChFnd80/06182009362D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (170)
4694

>  <Formula> (170)
C17H26N4O

>  <MolWeight> (170)
302.41454

>  <Cat> (170)
S5659

>  <Name> (170)
Emedastine

>  <Synonyms> (170)
N/A

>  <Target> (170)
Histamine Receptor

>  <Form> (170)
free base

>  <CAS> (170)
87233-61-2

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

$$$$
S5716 Abemaciclib.cdx
csChFnd80/06182009362D

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LY2835219

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CDK

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free base

>  <CAS> (171)
1231929-97-7 

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

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C30H34N4O2

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>  <Synonyms> (172)
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>  <Target> (172)
ALK

>  <Form> (172)
Free Base

>  <CAS> (172)
1256580-46-7

>  <URL> (172)
http://www.selleckchem.com/products/ch5424802.html

$$$$

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>  <Mol_ID> (173)
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Glecaprevir

>  <Synonyms> (173)
N/A

>  <Target> (173)
HCV Protease

>  <Form> (173)
Free Base

>  <CAS> (173)
1365970-03-1

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

$$$$

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>  <Synonyms> (174)
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>  <CAS> (174)
915759-45-4

>  <URL> (174)
http://www.selleckchem.com/products/way-316606.html

$$$$

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 39 43  0  0  0  0  0  0  0  0999 V2000
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   10.9435    5.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
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 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
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 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
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 25  5  1  0  0  0  0
  5 26  1  1  0  0  0
  2 27  1  1  0  0  0
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 12 29  1  1  0  0  0
 14 30  1  1  0  0  0
  3 31  1  6  0  0  0
 32 15  1  0  0  0  0
 17 33  1  6  0  0  0
 34 25  1  0  0  0  0
 16 35  1  1  0  0  0
 23 36  1  6  0  0  0
  2  9  1  0  0  0  0
 20 18  1  0  0  0  0
 24 21  1  0  0  0  0
 12  8  1  0  0  0  0
 14  5  1  0  0  0  0
  6 37  1  1  0  0  0
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M  END
>  <Mol_ID> (175)
4930

>  <Formula> (175)
C30H48O6

>  <MolWeight> (175)
504.69852

>  <Cat> (175)
S9502

>  <Name> (175)
Madecassic acid

>  <Synonyms> (175)
Brahmic acid

>  <Target> (175)
Immunology & Inflamm

>  <Form> (175)
Free Base

>  <CAS> (175)
2438-80-4

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

$$$$

csChFnd80/06182009362D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  2  0  0  0  0
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M  END
>  <Mol_ID> (176)
5294

>  <Formula> (176)
C23H21N5O3

>  <MolWeight> (176)
415.44454

>  <Cat> (176)
S2780

>  <Name> (176)
I-BET151 (GSK1210151A)

>  <Synonyms> (176)
N/A

>  <Target> (176)
Epigenetic Reader Do

>  <Form> (176)
Free Base

>  <CAS> (176)
1300031-49-5

>  <URL> (176)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/06182009362D

 23 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 20  1  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (177)
5358

>  <Formula> (177)
C20H22N2S

>  <MolWeight> (177)
322.46708

>  <Cat> (177)
S6435

>  <Name> (177)
Mequitazine

>  <Synonyms> (177)
LM-209

>  <Target> (177)
Histamine Receptor

>  <Form> (177)
Free Base

>  <CAS> (177)
29216-28-2

>  <URL> (177)
http://www.selleck.cn/products/mequitazine.html

$$$$

csChFnd80/06182009362D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0448    6.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0  0  0  0
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 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (178)
5387

>  <Formula> (178)
C16H22N4O

>  <MolWeight> (178)
286.37208

>  <Cat> (178)
S6469

>  <Name> (178)
Thonzylamine

>  <Synonyms> (178)
Neohetramine

>  <Target> (178)
Histamine Receptor

>  <Form> (178)
Free Base

>  <CAS> (178)
91-85-0

>  <URL> (178)
http://www.selleck.cn/products/thonzylamine.html

$$$$

csChFnd80/06182009362D

 39 42  0  0  0  0  0  0  0  0999 V2000
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   12.0994    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0994    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1613028-81-1

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http://www.selleck.cn/products/sr9243.html

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N/A

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ALK

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Free Base

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1197953-54-0

>  <URL> (180)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

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1627929-55-8

>  <URL> (181)
http://www.selleck.cn/products/plx51107.html

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free base

>  <CAS> (182)
211555-08-7

>  <URL> (182)
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$$$$

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N/A

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free base

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2244904-70-7

>  <URL> (183)
http://www.selleck.cn/products/bay-293.html

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6762

>  <Formula> (184)
C36H33ClN2O7

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641.10942

>  <Cat> (184)
S8859

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BMS-1166

>  <Synonyms> (184)
N/A

>  <Target> (184)
PD-1/PD-L1

>  <Form> (184)
free base

>  <CAS> (184)
1818314-88-3

>  <URL> (184)
http://www.selleck.cn/products/bms-1166.html

$$$$

csChFnd80/06182009362D

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>  <Mol_ID> (185)
6763

>  <Formula> (185)
C21H31N5O2

>  <MolWeight> (185)
385.50314

>  <Cat> (185)
S8864

>  <Name> (185)
ZT-12-037-01

>  <Synonyms> (185)
N/A

>  <Target> (185)
Serine/threonin kina

>  <Form> (185)
free base

>  <CAS> (185)
2328073-61-4

>  <URL> (185)
http://www.selleck.cn/products/zt-12-037-01.html

$$$$

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6841

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C21H23ClFNO2

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S6727

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AX-024 HCl

>  <Synonyms> (186)
N/A

>  <Target> (186)
CDK

>  <Form> (186)
Hydrochloride

>  <CAS> (186)
1704801-24-0

>  <URL> (186)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

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Rho

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Free Base

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429653-73-6

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$$$$
