untitled.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (1)
1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

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S1003

>  <Name> (1)
Linifanib (ABT-869)

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

>  <CAS> (1)
796967-16-3

>  <URL> (1)
http://www.selleckchem.com/products/ABT-869.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
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
csChFnd80/07272117312D

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>  <Mol_ID> (3)
3

>  <Formula> (3)
C27H32ClN5O5

>  <MolWeight> (3)
542.02648

>  <Cat> (3)
S1006

>  <Name> (3)
Saracatinib (AZD0530)

>  <Synonyms> (3)
N/A 

>  <Target> (3)
Src, Bcr-Abl

>  <Form> (3)
Free Base

>  <CAS> (3)
379231-04-6

>  <URL> (3)
http://www.selleckchem.com/products/AZD0530.html

$$$$
azd6244.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (4)
4

>  <Formula> (4)
C17H15BrClFN4O3

>  <MolWeight> (4)
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>  <Cat> (4)
S1008

>  <Name> (4)
AZD6244 (Selumetinib)

>  <Synonyms> (4)
ARRY-142886 

>  <Target> (4)
MEK

>  <Form> (4)
Free Base

>  <CAS> (4)
606143-52-6

>  <URL> (4)
http://www.selleckchem.com/products/AZD6244.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C31H33N5O4

>  <MolWeight> (5)
539.62482

>  <Cat> (5)
S1010

>  <Name> (5)
Nintedanib (BIBF 1120)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
VEGFR, PDGFR, FGFR

>  <Form> (5)
Free Base

>  <CAS> (5)
656247-17-5

>  <URL> (5)
http://www.selleckchem.com/products/BIBF1120.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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 20 15  1  0  0  0  0
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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C19H25BN4O4

>  <MolWeight> (6)
384.2372

>  <Cat> (6)
S1013

>  <Name> (6)
Bortezomib (Velcade)

>  <Synonyms> (6)
MG-341, PS-341

>  <Target> (6)
Proteasome

>  <Form> (6)
Free Base

>  <CAS> (6)
179324-69-7

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

$$$$
untitled.cdx
csChFnd80/07272117312D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
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 20 15  1  0  0  0  0
 13 21  1  0  0  0  0
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 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C25H27FN4O3

>  <MolWeight> (7)
450.5052832

>  <Cat> (7)
S1017

>  <Name> (7)
Cediranib (AZD2171)

>  <Synonyms> (7)
Recentin 

>  <Target> (7)
VEGFR, Flt

>  <Form> (7)
Free Base

>  <CAS> (7)
288383-20-0

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

$$$$
CI1040.cdx
csChFnd80/07272117312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
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 13 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C17H14ClF2IN2O2

>  <MolWeight> (8)
478.6595364

>  <Cat> (8)
S1020

>  <Name> (8)
CI-1040 (PD184352)

>  <Synonyms> (8)
N/A 

>  <Target> (8)
MEK 

>  <Form> (8)
Free Base

>  <CAS> (8)
212631-79-3

>  <URL> (8)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
Dasatinib.cdx
csChFnd80/07272117312D

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9

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Dasatinib

>  <Synonyms> (9)
BMS-354825

>  <Target> (9)
Src, Bcr-Abl, c-Kit

>  <Form> (9)
Free Base

>  <CAS> (9)
302962-49-8

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

$$$$
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>  <Mol_ID> (10)
10

>  <Formula> (10)
C53H84NO14P

>  <MolWeight> (10)
990.206121

>  <Cat> (10)
S1022

>  <Name> (10)
Deforolimus (MK-8669) 

>  <Synonyms> (10)
AP23573, MK-8669

>  <Target> (10)
mTOR

>  <Form> (10)
Free Base

>  <CAS> (10)
572924-54-0

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

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (11)
11

>  <Formula> (11)
C21H21FN6O

>  <MolWeight> (11)
392.4294432

>  <Cat> (11)
S1018

>  <Name> (11)
Dovitinib (TKI-258, CHIR-258)

>  <Synonyms> (11)
N/A

>  <Target> (11)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (11)
Free base

>  <CAS> (11)
405169-16-6

>  <URL> (11)
http://www.selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C22H24ClFN4O3

>  <MolWeight> (12)
446.9023632

>  <Cat> (12)
S1025

>  <Name> (12)
Gefitinib (ZD1839)

>  <Synonyms> (12)
N/A

>  <Target> (12)
EGFR

>  <Form> (12)
Free Base

>  <CAS> (12)
184475-35-2

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

$$$$
Imatinib Mesylate.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (13)
13

>  <Formula> (13)
C30H35N7O4S

>  <MolWeight> (13)
589.7084

>  <Cat> (13)
S1026

>  <Name> (13)
Imatinib Mesylate (STI571)

>  <Synonyms> (13)
CGP-57148B, ST-1571 Mesylate

>  <Target> (13)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (13)
Mesylate

>  <CAS> (13)
220127-57-1

>  <URL> (13)
http://www.selleckchem.com/products/Imatinib-Mesylate.html

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C43H42ClFN4O10S3

>  <MolWeight> (14)
925.4607832

>  <Cat> (14)
S1028

>  <Name> (14)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (14)
GW-57201

>  <Target> (14)
EGFR, HER2

>  <Form> (14)
Ditosylat

>  <CAS> (14)
388082-77-7

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

$$$$
untitled.cdx
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C13H13N3O3

>  <MolWeight> (15)
259.26062

>  <Cat> (15)
S1029

>  <Name> (15)
Lenalidomide (CC-5013)

>  <Synonyms> (15)
CC-5013

>  <Target> (15)
TNF-alpha

>  <Form> (15)
Free Base

>  <CAS> (15)
191732-72-6

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

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C22H29N5O9P2

>  <MolWeight> (16)
569.441282

>  <Cat> (16)
S1032

>  <Name> (16)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (16)
AMG-706

>  <Target> (16)
VEGFR, PDGFR, c-Kit

>  <Form> (16)
Diphosphate

>  <CAS> (16)
857876-30-3

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

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C28H22F3N7O

>  <MolWeight> (17)
529.5157896

>  <Cat> (17)
S1033

>  <Name> (17)
Nilotinib (AMN-107)

>  <Synonyms> (17)
Tasigna 

>  <Target> (17)
Bcr-Abl

>  <Form> (17)
Free Base

>  <CAS> (17)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C21H24ClN7O2S

>  <MolWeight> (18)
473.97896

>  <Cat> (18)
S1035

>  <Name> (18)
Pazopanib HCl

>  <Synonyms> (18)
GW786034

>  <Target> (18)
VEGFR, PDGFR, c-Kit

>  <Form> (18)
Hydrochloride

>  <CAS> (18)
635702-64-6

>  <URL> (18)
http://www.selleckchem.com/products/Pazopanib-Hydrochloride.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C16H14F3IN2O4

>  <MolWeight> (19)
482.1930396

>  <Cat> (19)
S1036

>  <Name> (19)
PD0325901

>  <Synonyms> (19)
N/A

>  <Target> (19)
MEK 

>  <Form> (19)
Free Base

>  <CAS> (19)
391210-10-9

>  <URL> (19)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/07272117312D

 26 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> (20)
20

>  <Formula> (20)
C19H16N4O3

>  <MolWeight> (20)
348.35534

>  <Cat> (20)
S1038

>  <Name> (20)
PI-103

>  <Synonyms> (20)
N/A

>  <Target> (20)
DNA-PK, PI3K, mTOR

>  <Form> (20)
Free Base

>  <CAS> (20)
371935-74-9

>  <URL> (20)
http://www.selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/07272117312D

 65 68  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (21)
21

>  <Formula> (21)
C51H79NO13

>  <MolWeight> (21)
914.17186

>  <Cat> (21)
S1039

>  <Name> (21)
Rapamycin (Sirolimus)

>  <Synonyms> (21)
N/A 

>  <Target> (21)
mTOR 

>  <Form> (21)
Free Base

>  <CAS> (21)
53123-88-9

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

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C28H24ClF3N4O6S

>  <MolWeight> (22)
637.0265696

>  <Cat> (22)
S1040

>  <Name> (22)
Sorafenib Tosylate

>  <Synonyms> (22)
Bay 43-9006 

>  <Target> (22)
VEGFR, PDGFR, Raf

>  <Form> (22)
Tosylate

>  <CAS> (22)
475207-59-1

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

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (23)
23

>  <Formula> (23)
C26H33FN4O7

>  <MolWeight> (23)
532.5612232

>  <Cat> (23)
S1042

>  <Name> (23)
Sunitinib Malate

>  <Synonyms> (23)
N/A

>  <Target> (23)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (23)
Malate

>  <CAS> (23)
341031-54-7

>  <URL> (23)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C23H28N8OS

>  <MolWeight> (24)
464.58642

>  <Cat> (24)
S1048

>  <Name> (24)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Aurora Kinase

>  <Form> (24)
Free Base

>  <CAS> (24)
639089-54-6

>  <URL> (24)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C14H23Cl2N3O

>  <MolWeight> (25)
320.25792

>  <Cat> (25)
S1049

>  <Name> (25)
Y-27632 2HCl

>  <Synonyms> (25)
N/A

>  <Target> (25)
ROCK

>  <Form> (25)
Dihydrochloride

>  <CAS> (25)
129830-38-2

>  <URL> (25)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C32H29N5O2

>  <MolWeight> (26)
515.60496

>  <Cat> (26)
S1055

>  <Name> (26)
Enzastaurin (LY317615)

>  <Synonyms> (26)
N/A 

>  <Target> (26)
PKC 

>  <Form> (26)
Free Base

>  <CAS> (26)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (27)
27

>  <Formula> (27)
C28H30N6OS

>  <MolWeight> (27)
498.6424

>  <Cat> (27)
S1064

>  <Name> (27)
Masitinib (AB1010)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (27)
Free Base

>  <CAS> (27)
790299-79-5

>  <URL> (27)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C23H27N7O3S2

>  <MolWeight> (28)
513.63558

>  <Cat> (28)
S1065

>  <Name> (28)
Pictilisib (GDC-0941)

>  <Synonyms> (28)
RG7321

>  <Target> (28)
PI3K 

>  <Form> (28)
Free Base

>  <CAS> (28)
957054-30-7

>  <URL> (28)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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301836-41-9

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http://www.selleckchem.com/products/SB-431542.html

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HSP

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747412-49-3

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475110-96-4

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280744-09-4

>  <URL> (32)
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M  END
>  <Mol_ID> (33)
33

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C21H16FN3OS

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N/A

>  <Target> (33)
p38 MAPK 

>  <Form> (33)
Free Base

>  <CAS> (33)
152121-47-6

>  <URL> (33)
http://www.selleckchem.com/products/SB-203580.html

$$$$
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34

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C20H14FN3O

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331.3430632

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S1077

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SB202190 (FHPI)

>  <Synonyms> (34)
N/A

>  <Target> (34)
p38 MAPK 

>  <Form> (34)
Free Base

>  <CAS> (34)
152121-30-7

>  <URL> (34)
http://www.selleckchem.com/products/SB-202190.html

$$$$

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>  <Mol_ID> (35)
35

>  <Formula> (35)
C25H23Cl2N5O

>  <MolWeight> (35)
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>  <Cat> (35)
S1078

>  <Name> (35)
MK-2206 dihydrochloride

>  <Synonyms> (35)
N/A

>  <Target> (35)
Akt

>  <Form> (35)
Dihydrochloride

>  <CAS> (35)
1032350-13-2

>  <URL> (35)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
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>  <Mol_ID> (36)
36

>  <Formula> (36)
C28H30ClN5O4S

>  <MolWeight> (36)
568.0869

>  <Cat> (36)
S1080

>  <Name> (36)
SU11274

>  <Synonyms> (36)
PKI-SU11274

>  <Target> (36)
c-Met 

>  <Form> (36)
Free Base

>  <CAS> (36)
658084-23-2

>  <URL> (36)
http://www.selleckchem.com/products/SU11274.html

$$$$
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>  <Mol_ID> (37)
37

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Brivanib (BMS-540215)

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VEGFR, FGFR

>  <Form> (37)
Free Base

>  <CAS> (37)
649735-46-6

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

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ADW742

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IGF-1R

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Free Base

>  <CAS> (38)
475488-23-4

>  <URL> (38)
http://www.selleckchem.com/products/NVP-ADW742.html

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KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (39)
N/A

>  <Target> (39)
ATM 

>  <Form> (39)
Free Base

>  <CAS> (39)
587871-26-9

>  <URL> (39)
http://www.selleckchem.com/products/KU-55933.html

$$$$
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>  <URL> (40)
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C19H16N8O

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N/A

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c-Met 

>  <Form> (41)
Free Base

>  <CAS> (41)
956905-27-4

>  <URL> (41)
http://www.selleckchem.com/products/PF-04217903.html

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>  <Mol_ID> (42)
42

>  <Formula> (42)
C25H15ClF2N4O2

>  <MolWeight> (42)
476.8620064

>  <Cat> (42)
S1100

>  <Name> (42)
MLN8054

>  <Synonyms> (42)
N/A

>  <Target> (42)
Aurora Kinase

>  <Form> (42)
Free Base

>  <CAS> (42)
869363-13-3

>  <URL> (42)
http://www.selleckchem.com/products/MLN8054.html

$$$$
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>  <Mol_ID> (43)
43

>  <Formula> (43)
C20H17Cl3N4

>  <MolWeight> (43)
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>  <Cat> (43)
S1101

>  <Name> (43)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (43)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (43)
VEGFR, c-Kit, Flt

>  <Form> (43)
Dihydrochloride

>  <CAS> (43)
212141-51-0

>  <URL> (43)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

$$$$
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>  <Mol_ID> (44)
44

>  <Formula> (44)
C29H31N5O4

>  <MolWeight> (44)
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>  <Cat> (44)
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>  <Name> (44)
ZM-447439

>  <Synonyms> (44)
N/A

>  <Target> (44)
Aurora Kinase

>  <Form> (44)
Free Base

>  <CAS> (44)
331771-20-1

>  <URL> (44)
http://www.selleckchem.com/products/ZM-447439.html

$$$$
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742112-33-0

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PLK

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755038-02-9

>  <URL> (49)
http://www.selleckchem.com/products/BI-2536.html

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>  <Synonyms> (50)
N/A 

>  <Target> (50)
c-Met, VEGFR

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>  <CAS> (50)
849217-64-7

>  <URL> (50)
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>  <Mol_ID> (51)
51

>  <Formula> (51)
C19H13F2N7

>  <MolWeight> (51)
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>  <Cat> (51)
S1114

>  <Name> (51)
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>  <Synonyms> (51)
N/A

>  <Target> (51)
c-Met 

>  <Form> (51)
Free Base

>  <CAS> (51)
943540-75-8

>  <URL> (51)
http://www.selleckchem.com/products/JNJ-38877605.html

$$$$
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>  <Mol_ID> (52)
52

>  <Formula> (52)
C53H83NO14

>  <MolWeight> (52)
958.22442

>  <Cat> (52)
S1120

>  <Name> (52)
Everolimus (RAD001)

>  <Synonyms> (52)
Certican, Zortress, Afinitor

>  <Target> (52)
mTOR

>  <Form> (52)
Free Base

>  <CAS> (52)
159351-69-6

>  <URL> (52)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
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>  <Mol_ID> (53)
53

>  <Formula> (53)
C27H20ClFN4O4

>  <MolWeight> (53)
518.9235032

>  <Cat> (53)
S1133

>  <Name> (53)
MLN8237 (Alisertib)

>  <Synonyms> (53)
Alisertib

>  <Target> (53)
Aurora Kinase

>  <Form> (53)
Free Base

>  <CAS> (53)
1028486-01-2

>  <URL> (53)
http://www.selleckchem.com/products/MLN8237.html

$$$$
XL-184 free base.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (54)
54

>  <Formula> (54)
C28H24FN3O5

>  <MolWeight> (54)
501.5056632

>  <Cat> (54)
S1119

>  <Name> (54)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (54)
N/A

>  <Target> (54)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (54)
Free Base

>  <CAS> (54)
849217-68-1

>  <URL> (54)
http://www.selleckchem.com/products/XL184.html

$$$$
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M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C19H23N7O2

>  <MolWeight> (55)
381.43162

>  <Cat> (55)
S1134

>  <Name> (55)
AT9283

>  <Synonyms> (55)
N/A

>  <Target> (55)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (55)
Free Base

>  <CAS> (55)
896466-04-9

>  <URL> (55)
http://www.selleckchem.com/products/AT9283.html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
C31H43N3O8

>  <MolWeight> (56)
585.68842

>  <Cat> (56)
S1141

>  <Name> (56)
17-AAG (Tanespimycin)

>  <Synonyms> (56)
N/A 

>  <Target> (56)
HSP

>  <Form> (56)
Free Base

>  <CAS> (56)
75747-14-7

>  <URL> (56)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C22H24FN5O4

>  <MolWeight> (57)
441.4554632

>  <Cat> (57)
S1138

>  <Name> (57)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (57)
N/A 

>  <Target> (57)
VEGFR, FGFR

>  <Form> (57)
Alaninate

>  <CAS> (57)
649735-63-7

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

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C17H24N4O2S2

>  <MolWeight> (58)
380.52806

>  <Cat> (58)
S1145

>  <Name> (58)
SNS-032 (BMS-387032)

>  <Synonyms> (58)
BMS-387032

>  <Target> (58)
CDK 

>  <Form> (58)
Free Base

>  <CAS> (58)
345627-80-7

>  <URL> (58)
http://www.selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
csChFnd80/07272117312D

 37 40  0  0  0  0  0  0  0  0999 V2000
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AZD1152 

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Aurora Kinase

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Free Base

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722544-51-6

>  <URL> (59)
http://www.selleckchem.com/products/AZD1152-HQPA.html

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>  <Formula> (60)
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S1152

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PLX-4720

>  <Synonyms> (60)
N/A

>  <Target> (60)
Raf 

>  <Form> (60)
Free Base

>  <CAS> (60)
918505-84-7

>  <URL> (60)
http://www.selleckchem.com/products/PLX-4720.html

$$$$
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>  <Mol_ID> (61)
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>  <Formula> (61)
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>  <MolWeight> (61)
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Roscovitine (Seliciclib, CYC202) 

>  <Synonyms> (61)
N/A 

>  <Target> (61)
CDK 

>  <Form> (61)
Free Base

>  <CAS> (61)
186692-46-6 

>  <URL> (61)
http://www.selleckchem.com/products/Roscovitine.html

$$$$
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>  <Mol_ID> (62)
62

>  <Formula> (62)
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>  <Cat> (62)
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CP-724714

>  <Synonyms> (62)
N/A

>  <Target> (62)
EGFR, HER2

>  <Form> (62)
Free Base

>  <CAS> (62)
537705-08-1

>  <URL> (62)
http://www.selleckchem.com/products/CP-724714.html

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1214265-56-1

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693228-63-6

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c-Kit, Raf, VEGFR

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755037-03-7

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EGFR

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Free Base

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1214265-57-2

>  <URL> (69)
http://www.selleckchem.com/products/WZ8040.html

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934353-76-1

>  <URL> (70)
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M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C23H21F7N4O3

>  <MolWeight> (71)
534.4266624

>  <Cat> (71)
S1189

>  <Name> (71)
Aprepitant (MK-0869)

>  <Synonyms> (71)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (71)
Substance P

>  <Form> (71)
Free Base

>  <CAS> (71)
170729-80-3

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/07272117312D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C24H26N4O4

>  <MolWeight> (72)
434.48764

>  <Cat> (72)
S1194

>  <Name> (72)
CUDC-101

>  <Synonyms> (72)
N/A

>  <Target> (72)
HDAC, EGFR, HER2

>  <Form> (72)
Free Base

>  <CAS> (72)
1012054-59-9

>  <URL> (72)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/07272117312D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.3854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1830    4.8371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C22H19ClN4O5

>  <MolWeight> (73)
454.86306

>  <Cat> (73)
S1207

>  <Name> (73)
Tivozanib (AV-951)

>  <Synonyms> (73)
N/A 

>  <Target> (73)
VEGFR, c-Kit, PDGFR

>  <Form> (73)
Free Base

>  <CAS> (73)
475108-18-0

>  <URL> (73)
http://www.selleckchem.com/products/AV-951.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/07272117312D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C27H30ClNO11

>  <MolWeight> (74)
579.9802

>  <Cat> (74)
S1208

>  <Name> (74)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (74)
N/A 

>  <Target> (74)
Topoisomerase

>  <Form> (74)
Hydrochloride

>  <CAS> (74)
25316-40-9

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

$$$$
OSI-930.cdx
csChFnd80/07272117312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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728033-96-3

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mTOR 

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Free Base

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938440-64-3

>  <URL> (76)
http://www.selleckchem.com/products/KU-0063794.html

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c-Met, c-Kit, PDGFR, Flt, c-RET

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>  <CAS> (77)
850879-09-3

>  <URL> (77)
http://www.selleckchem.com/products/MP-470.html

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Dehydrogenase

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>  <CAS> (78)
75706-12-6

>  <URL> (78)
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CDK, Aurora Kinase

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Free Base

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443797-96-4

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http://www.selleckchem.com/products/JNJ-7706621.html

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FGFR, VEGFR

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Free Base

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219580-11-7

>  <URL> (80)
http://www.selleckchem.com/products/PD-173074.html

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N/A

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mTOR 

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Free Base

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1062169-56-5

>  <URL> (81)
http://www.selleckchem.com/products/WYE-354.html

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>  <Mol_ID> (87)
87

>  <Formula> (87)
C24H18F3N3O4

>  <MolWeight> (87)
469.4126296

>  <Cat> (87)
S1363

>  <Name> (87)
Ki8751

>  <Synonyms> (87)
N/A

>  <Target> (87)
VEGFR, c-Kit, PDGFR

>  <Form> (87)
Free Base

>  <CAS> (87)
228559-41-9

>  <URL> (87)
http://www.selleckchem.com/products/Ki8751.html

$$$$
resveratrol.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (88)
88

>  <Formula> (88)
C14H12O3

>  <MolWeight> (88)
228.24328

>  <Cat> (88)
S1396

>  <Name> (88)
Resveratrol

>  <Synonyms> (88)
N/A

>  <Target> (88)
Sirtuin

>  <Form> (88)
Free Base

>  <CAS> (88)
501-36-0

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C31H31ClFN7O2

>  <MolWeight> (89)
588.0749432

>  <Cat> (89)
S1451

>  <Name> (89)
Aurora A Inhibitor I

>  <Synonyms> (89)
N/A

>  <Target> (89)
Aurora Kinase

>  <Form> (89)
Free Base

>  <CAS> (89)
1158838-45-9

>  <URL> (89)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/07272117312D

 37 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (90)
90

>  <Formula> (90)
C28H35N7O2

>  <MolWeight> (90)
501.6232

>  <Cat> (90)
S1454

>  <Name> (90)
PHA-680632

>  <Synonyms> (90)
N/A

>  <Target> (90)
Aurora Kinase

>  <Form> (90)
Free Base

>  <CAS> (90)
398493-79-3

>  <URL> (90)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C15H13N5OS

>  <MolWeight> (91)
311.36162

>  <Cat> (91)
S1459

>  <Name> (91)
Thiazovivin

>  <Synonyms> (91)
N/A

>  <Target> (91)
ROCK

>  <Form> (91)
Free Base

>  <CAS> (91)
1226056-71-8

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

$$$$
sp600125.cdx
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VEGFR, PDGFR , FGFR 

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252916-29-3

>  <URL> (93)
http://www.selleckchem.com/products/TSU-68(SU6668).html

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GSK429286A

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N/A

>  <Target> (94)
ROCK 

>  <Form> (94)
Free Base

>  <CAS> (94)
864082-47-3

>  <URL> (94)
http://www.selleckchem.com/products/GSK429286A.html

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1236699-92-5

>  <URL> (95)
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SB 525334

>  <Synonyms> (96)
N/A

>  <Target> (96)
TGF-beta/Smad

>  <Form> (96)
Free Base

>  <CAS> (96)
356559-20-1

>  <URL> (96)
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$$$$
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497839-62-0

>  <URL> (98)
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CDK

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718630-59-2

>  <URL> (99)
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Free Base

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943319-70-8

>  <URL> (101)
http://www.selleckchem.com/products/AP24534.html

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>  <Formula> (102)
C24H22O6

>  <MolWeight> (102)
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>  <Name> (102)
Palomid 529

>  <Synonyms> (102)
P529

>  <Target> (102)
mTOR

>  <Form> (102)
Free Base

>  <CAS> (102)
914913-88-5

>  <URL> (102)
http://www.selleckchem.com/products/Palomid-529-P529.html

$$$$
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>  <Target> (103)
PI3K, mTOR

>  <Form> (103)
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>  <CAS> (103)
1349796-36-6

>  <URL> (103)
http://www.selleckchem.com/products/XL765(SAR245409).html#

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CDK 

>  <Form> (104)
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>  <CAS> (104)
844442-38-2

>  <URL> (104)
http://www.selleckchem.com/products/AT7519.html

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Wee1

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Free Base

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955365-80-7

>  <URL> (105)
http://www.selleckchem.com/products/MK-1775.html

$$$$
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Quizartinib (AC220)

>  <Synonyms> (106)
N/A 

>  <Target> (106)
Flt

>  <Form> (106)
Free Base

>  <CAS> (106)
950769-58-1

>  <URL> (106)
http://www.selleckchem.com/products/AC-220.html

$$$$
Hesperadin .cdx
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>  <Mol_ID> (107)
107

>  <Formula> (107)
C29H32N4O3S

>  <MolWeight> (107)
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>  <Cat> (107)
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>  <Name> (107)
Hesperadin

>  <Synonyms> (107)
N/A

>  <Target> (107)
Aurora Kinase

>  <Form> (107)
Free Base

>  <CAS> (107)
422513-13-1

>  <URL> (107)
http://www.selleckchem.com/products/Hesperadin.html

$$$$
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860352-01-8

>  <URL> (110)
http://www.selleckchem.com/products/AZD7762.html

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N/A 

>  <Target> (112)
mTOR

>  <Form> (112)
Free Base

>  <CAS> (112)
1009298-09-2

>  <URL> (112)
http://www.selleckchem.com/products/AZD8055.html

$$$$
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>  <Mol_ID> (113)
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C20H31N3O2S2

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S1556

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PHT-427

>  <Synonyms> (113)
N/A 

>  <Target> (113)
Akt, PDK-1

>  <Form> (113)
Free Base

>  <CAS> (113)
1191951-57-1

>  <URL> (113)
http://www.selleckchem.com/products/PHT-427.html

$$$$
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>  <Mol_ID> (114)
114

>  <Formula> (114)
C20H21ClN4O4

>  <MolWeight> (114)
416.85814

>  <Cat> (114)
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>  <Name> (114)
KRN 633

>  <Synonyms> (114)
N/A 

>  <Target> (114)
VEGFR, PDGFR

>  <Form> (114)
Free Base

>  <CAS> (114)
286370-15-8

>  <URL> (114)
http://www.selleckchem.com/products/KRN-633.html

$$$$
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csChFnd80/07272117312D

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>  <Mol_ID> (115)
115

>  <Formula> (115)
C20H20ClN3

>  <MolWeight> (115)
337.8459

>  <Cat> (115)
S1558

>  <Name> (115)
AT7867

>  <Synonyms> (115)
N/A

>  <Target> (115)
Akt, S6 kinase

>  <Form> (115)
Free Base

>  <CAS> (115)
857531-00-1

>  <URL> (115)
http://www.selleckchem.com/products/AT7867.html

$$$$
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c-Met

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Free Base

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1025720-94-8

>  <URL> (116)
http://www.selleckchem.com/products/BMS-777607.html

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N/A

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MEK 

>  <Form> (117)
Free Base

>  <CAS> (117)
391210-00-7 

>  <URL> (117)
http://www.selleckchem.com/products/PD318088.html

$$$$
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csChFnd80/07272117312D

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>  <Mol_ID> (118)
118

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C30H33N3O5S

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KU-60019

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ATM 

>  <Form> (118)
Free Base

>  <CAS> (118)
925701-49-1

>  <URL> (118)
http://www.selleckchem.com/products/KU-60019.html

$$$$
BS-181.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (119)
119

>  <Formula> (119)
C22H33ClN6

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BS-181 HCl

>  <Synonyms> (119)
N/A

>  <Target> (119)
CDK 

>  <Form> (119)
Hydrochloride

>  <CAS> (119)
1397219-81-6

>  <URL> (119)
http://www.selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (120)
120

>  <Formula> (120)
C14H18ClN3O2S

>  <MolWeight> (120)
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>  <Cat> (120)
S1573

>  <Name> (120)
Fasudil HCl (HA-1077)

>  <Synonyms> (120)
AT-877 

>  <Target> (120)
ROCK

>  <Form> (120)
Hydrochloride

>  <CAS> (120)
105628-07-7

>  <URL> (120)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/07272117312D

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   17.9863    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C31H37N5O3

>  <MolWeight> (121)
527.65718

>  <Cat> (121)
S1574

>  <Name> (121)
BIRB 796 (Doramapimod)

>  <Synonyms> (121)
N/A

>  <Target> (121)
p38 MAPK

>  <Form> (121)
Free Base

>  <CAS> (121)
285983-48-4

>  <URL> (121)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/07272117312D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2233    3.4976    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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   16.9209    4.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C26H21N3O2S

>  <MolWeight> (122)
439.52884

>  <Cat> (122)
S1577

>  <Name> (122)
Tie2 kinase inhibitor

>  <Synonyms> (122)
N/A

>  <Target> (122)
Tie-2

>  <Form> (122)
Free Base

>  <CAS> (122)
948557-43-5

>  <URL> (122)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/07272117312D

 38 41  0  0  0  0  0  0  0  0999 V2000
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    7.6498  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4986  -10.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985   -9.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8861  -10.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4153  -12.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C27H30Cl2F2N6O

>  <MolWeight> (123)
563.4695064

>  <Cat> (123)
S2686

>  <Name> (123)
NVP-BSK805 2HCl

>  <Synonyms> (123)
N/A

>  <Target> (123)
JAK

>  <Form> (123)
HCl

>  <CAS> (123)
1092499-93-8 (free base)

>  <URL> (123)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/07272117312D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
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  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C5H9NO3S

>  <MolWeight> (124)
163.19486

>  <Cat> (124)
S1623

>  <Name> (124)
Acetylcysteine

>  <Synonyms> (124)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (124)
AChR

>  <Form> (124)
Free Base

>  <CAS> (124)
616-91-1

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

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/07272117312D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    1.2040    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C12H9N3O5S

>  <MolWeight> (125)
307.28196

>  <Cat> (125)
S1627

>  <Name> (125)
Nitazoxanide (Alinia, Annita)

>  <Synonyms> (125)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (125)
Others

>  <Form> (125)
Free Base

>  <CAS> (125)
55981-09-4

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

$$$$
Artemisinin.cdx
csChFnd80/07272117312D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    3.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5019    4.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    5.4860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2405    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9757    2.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037    5.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560    4.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857    2.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
  5 12  1  6  0  0  0
 11 13  1  6  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
  8 17  1  6  0  0  0
 16 18  1  1  0  0  0
 15 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  6  0  0  0
 21 22  1  0  0  0  0
  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C15H22O5

>  <MolWeight> (126)
282.33218

>  <Cat> (126)
S1282

>  <Name> (126)
Artemisinin

>  <Synonyms> (126)
Qinghaosu

>  <Target> (126)
Antifection

>  <Form> (126)
Free Base

>  <CAS> (126)
63968-64-9

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/07272117312D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C7H7NO3

>  <MolWeight> (127)
153.13538

>  <Cat> (127)
S1681

>  <Name> (127)
Mesalamine (Lialda)

>  <Synonyms> (127)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (127)
I¦ÊB/IKK

>  <Form> (127)
Free Base

>  <CAS> (127)
89-57-6

>  <URL> (127)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
DCC-2036.cdx
csChFnd80/07272117312D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  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  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
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 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C30H28FN7O3

>  <MolWeight> (128)
553.5868232

>  <Cat> (128)
S2634

>  <Name> (128)
DCC-2036 (Rebastinib)

>  <Synonyms> (128)
N/A 

>  <Target> (128)
Bcr-Abl

>  <Form> (128)
Free Base

>  <CAS> (128)
1020172-07-9

>  <URL> (128)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/07272117312D

 63 68  0  0  0  0  0  0  0  0999 V2000
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    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 49 52  1  0  0  0  0
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 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C50H46CaF2N2O8

>  <MolWeight> (129)
880.9836464

>  <Cat> (129)
S1759

>  <Name> (129)
Pitavastatin calcium (Livalo)

>  <Synonyms> (129)
Livalo

>  <Target> (129)
HMG-CoA Reductase

>  <Form> (129)
Calcium salt

>  <CAS> (129)
147526-32-7

>  <URL> (129)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C10H13N5O4

>  <MolWeight> (130)
267.24132

>  <Cat> (130)
S1784

>  <Name> (130)
Vidarabine (Vira-A)

>  <Synonyms> (130)
Vira-A

>  <Target> (130)
5-alpha Reductase 

>  <Form> (130)
Free Base

>  <CAS> (130)
5536-17-4

>  <URL> (130)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
Acyclovir.cdx
csChFnd80/07272117312D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 11  1  0  0  0  0
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 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C8H11N5O3

>  <MolWeight> (131)
225.20464

>  <Cat> (131)
S1807

>  <Name> (131)
Acyclovir (Aciclovir)

>  <Synonyms> (131)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (131)
Antifection

>  <Form> (131)
Free Base

>  <CAS> (131)
59277-89-3 

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

$$$$
ADALAT (nifedipine).cdx
csChFnd80/07272117312D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
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 19 20  2  0  0  0  0
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 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C17H18N2O6

>  <MolWeight> (132)
346.33462

>  <Cat> (132)
S1808

>  <Name> (132)
Nifedipine (Adalat)

>  <Synonyms> (132)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (132)
Calcium Channel

>  <Form> (132)
Free Base

>  <CAS> (132)
21829-25-4

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

$$$$
Amiloride hydrochloride.cdx
csChFnd80/07272117312D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C6H9Cl2N7O

>  <MolWeight> (133)
266.08796

>  <Cat> (133)
S1811

>  <Name> (133)
Amiloride HCl

>  <Synonyms> (133)
N/A

>  <Target> (133)
Sodium Channel,Calcium Channel

>  <Form> (133)
Hydrochloride

>  <CAS> (133)
2016-88-8

>  <URL> (133)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

$$$$
clemastine fumarate.cdx
csChFnd80/07272117312D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    5.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547    6.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    8.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    5.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C25H30ClNO5

>  <MolWeight> (134)
459.9624

>  <Cat> (134)
S1847

>  <Name> (134)
Clemastine Fumarate

>  <Synonyms> (134)
Tavist, Agasten 

>  <Target> (134)
Histamine Receptor

>  <Form> (134)
Fumarate

>  <CAS> (134)
14976-57-9

>  <URL> (134)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

$$$$
Methylthiouracil.cdx
csChFnd80/07272117312D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C5H6N2OS

>  <MolWeight> (135)
142.17894

>  <Cat> (135)
S3138

>  <Name> (135)
Methylthiouracil

>  <Synonyms> (135)
N/A

>  <Target> (135)
Others

>  <Form> (135)
Free Base

>  <CAS> (135)
20547

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

$$$$
MENADIONE (menadione).cdx
csChFnd80/07272117312D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C11H8O2

>  <MolWeight> (136)
172.18002

>  <Cat> (136)
S1949

>  <Name> (136)
Menadione

>  <Synonyms> (136)
Vitamin K3

>  <Target> (136)
DNA/RNA Synthesis,phosphatase

>  <Form> (136)
Free Base

>  <CAS> (136)
58-27-5

>  <URL> (136)
http://www.selleckchem.com/products/Menadione.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/07272117312D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C4H12ClN5

>  <MolWeight> (137)
165.62458

>  <Cat> (137)
S1950

>  <Name> (137)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (137)
Glucophage, Riomet, Diabex

>  <Target> (137)
Others

>  <Form> (137)
Hydrochloride

>  <CAS> (137)
1115-70-4

>  <URL> (137)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Tanshinone IIA.cdx
csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C19H18O3

>  <MolWeight> (138)
294.34442

>  <Cat> (138)
S2365

>  <Name> (138)
Tanshinone IIA (Tanshinone B)

>  <Synonyms> (138)
Tanshinone B, Tanshinone II

>  <Target> (138)
Lipase

>  <Form> (138)
Free Base

>  <CAS> (138)
568-72-9

>  <URL> (138)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

$$$$
Biochanin A.cdx
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C16H12O5

>  <MolWeight> (139)
284.26348

>  <Cat> (139)
S2377

>  <Name> (139)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (139)
4-Methylgenistein

>  <Target> (139)
FAAH

>  <Form> (139)
Free Base

>  <CAS> (139)
491-80-5

>  <URL> (139)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Diosmetin.cdx
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C16H12O6

>  <MolWeight> (140)
300.26288

>  <Cat> (140)
S2380

>  <Name> (140)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (140)
Luteolin 4-methyl ether

>  <Target> (140)
P450 (e.g. CYP17)

>  <Form> (140)
Free Base

>  <CAS> (140)
520-34-3

>  <URL> (140)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Indirubin.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C16H10N2O2

>  <MolWeight> (141)
262.2628

>  <Cat> (141)
S2386

>  <Name> (141)
Indirubin

>  <Synonyms> (141)
N/A

>  <Target> (141)
GSK-3

>  <Form> (141)
Free Base

>  <CAS> (141)
479-41-4 

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

$$$$
AMG 458.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C30H29N5O5

>  <MolWeight> (142)
539.58176

>  <Cat> (142)
S2747

>  <Name> (142)
AMG458

>  <Synonyms> (142)
N/A

>  <Target> (142)
c-Met

>  <Form> (142)
Free Base

>  <CAS> (142)
913376-83-7 

>  <URL> (142)
http://www.selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (143)
143

>  <Formula> (143)
C29H27N7O4S

>  <MolWeight> (143)
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>  <Cat> (143)
S2752

>  <Name> (143)
HER2 Inhibitor 1

>  <Synonyms> (143)
N/A

>  <Target> (143)
HER2, EGFR

>  <Form> (143)
Free Base

>  <CAS> (143)
937265-83-3

>  <URL> (143)
http://www.selleckchem.com/products/arry-380.html

$$$$
PHA-848125.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C32H29F3N6O6

>  <MolWeight> (148)
650.6044696

>  <Cat> (148)
S2749

>  <Name> (148)
NVP-BGT226

>  <Synonyms> (148)
N/A 

>  <Target> (148)
PI3K, mTOR

>  <Form> (148)
Maleate

>  <CAS> (148)
1245537-68-1

>  <URL> (148)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/07272117312D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C25H21N7O3

>  <MolWeight> (149)
467.47934

>  <Cat> (149)
S1219

>  <Name> (149)
YM201636

>  <Synonyms> (149)
N/A

>  <Target> (149)
PI3K 

>  <Form> (149)
Free Base

>  <CAS> (149)
371942-69-7

>  <URL> (149)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
csChFnd80/07272117312D

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  2  3  1  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C6H7N5

>  <MolWeight> (150)
149.15328

>  <Cat> (150)
S2767

>  <Name> (150)
3-Methyladenine (3-MA)

>  <Synonyms> (150)
3-MA

>  <Target> (150)
PI3K

>  <Form> (150)
Free Base

>  <CAS> (150)
5142-23-4

>  <URL> (150)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
ARQ-197.cdx
csChFnd80/07272117312D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C23H19N3O2

>  <MolWeight> (151)
369.41586

>  <Cat> (151)
S2753

>  <Name> (151)
ARQ 197 (Tivantinib)

>  <Synonyms> (151)
N/A 

>  <Target> (151)
c-Met

>  <Form> (151)
Free Base

>  <CAS> (151)
905854-02-6

>  <URL> (151)
http://www.selleckchem.com/products/arq-197.html

$$$$
BX-795.cdx
csChFnd80/07272117312D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (152)
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N/A

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PDK-1, IKK

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Free Base

>  <CAS> (152)
702675-74-9

>  <URL> (152)
http://www.selleckchem.com/products/bx-795.html

$$$$
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csChFnd80/07272117312D

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153

>  <Formula> (153)
C20H23BrN8O

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N/A

>  <Target> (153)
PDK-1 

>  <Form> (153)
Free Base

>  <CAS> (153)
702674-56-4

>  <URL> (153)
http://www.selleckchem.com/products/bx-912.html

$$$$
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154

>  <Formula> (154)
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NVP-BVU972

>  <Synonyms> (154)
N/A

>  <Target> (154)
c-Met

>  <Form> (154)
Free Base

>  <CAS> (154)
1185763-69-2

>  <URL> (154)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$
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155

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>  <Synonyms> (155)
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>  <Target> (155)
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>  <Form> (155)
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>  <CAS> (155)
1339928-25-4

>  <URL> (155)
http://www.selleckchem.com/products/cudc-907.html

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>  <Mol_ID> (156)
156

>  <Formula> (156)
C27H33FN6O7

>  <MolWeight> (156)
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>  <Cat> (156)
S2769

>  <Name> (156)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (156)
CHIR-258 Dilactic acid 

>  <Target> (156)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (156)
Dilactic Acid 

>  <CAS> (156)
852433-84-2

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

$$$$
AST-1306.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (157)
157

>  <Formula> (157)
C31H26ClFN4O5S

>  <MolWeight> (157)
621.0783432

>  <Cat> (157)
S2185

>  <Name> (157)
AST-1306

>  <Synonyms> (157)
N/A

>  <Target> (157)
EGFR

>  <Form> (157)
Mesylate

>  <CAS> (157)
1050500-29-2

>  <URL> (157)
http://www.selleckchem.com/products/ast-1306.html

$$$$
BMS265246.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (158)
158

>  <Formula> (158)
C18H17F2N3O2

>  <MolWeight> (158)
345.3432864

>  <Cat> (158)
S2014

>  <Name> (158)
BMS-265246

>  <Synonyms> (158)
 N/A  

>  <Target> (158)
CDK

>  <Form> (158)
Free Base

>  <CAS> (158)
582315-72-8

>  <URL> (158)
http://www.selleckchem.com/products/bms-265246.html

$$$$
SB505124.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (159)
159

>  <Formula> (159)
C20H21N3O2

>  <MolWeight> (159)
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>  <Cat> (159)
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>  <Name> (159)
SB-505124

>  <Synonyms> (159)
N/A 

>  <Target> (159)
TGF-beta/Smad 

>  <Form> (159)
Free Base

>  <CAS> (159)
694433-59-5

>  <URL> (159)
http://www.selleckchem.com/products/sb-505124.html

$$$$
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>  <Target> (160)
c-Met, FGFR, PDGFR

>  <Form> (160)
Free Base

>  <CAS> (160)
917879-39-1

>  <URL> (160)
http://www.selleckchem.com/products/mk-2461.html

$$$$
Nocodazole.cdx
csChFnd80/07272117312D

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161

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C14H11N3O3S

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301.32044

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S2775

>  <Name> (161)
Nocodazole

>  <Synonyms> (161)
N/A 

>  <Target> (161)
Microtubule Associated

>  <Form> (161)
Free Base

>  <CAS> (161)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/07272117312D

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162

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>  <Name> (162)
Vistusertib (AZD2014)

>  <Synonyms> (162)
N/A 

>  <Target> (162)
mTOR

>  <Form> (162)
Free Base

>  <CAS> (162)
1009298-59-2

>  <URL> (162)
http://www.selleckchem.com/products/azd2014.html

$$$$
TAK-285.cdx
csChFnd80/07272117312D

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EGFR, HER2

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>  <CAS> (163)
871026-44-7

>  <URL> (163)
http://www.selleckchem.com/products/tak-285.html

$$$$
Piceatannol.cdx
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Others

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10083-24-6

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

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PKC 

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Free Base

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425637-18-9

>  <URL> (165)
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193275-84-2

>  <URL> (166)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

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FGFR

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1035270-39-3

>  <URL> (167)
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>  <Mol_ID> (172)
172

>  <Formula> (172)
C24H26N6O2S

>  <MolWeight> (172)
462.56724

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S2806

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CEP33779

>  <Synonyms> (172)
N/A

>  <Target> (172)
JAK

>  <Form> (172)
Free Base

>  <CAS> (172)
1257704-57-6

>  <URL> (172)
http://www.selleckchem.com/products/cep33779.html

$$$$
NVP-TAE226.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (173)
173

>  <Formula> (173)
C23H25ClN6O3

>  <MolWeight> (173)
468.936

>  <Cat> (173)
S2820

>  <Name> (173)
NVP-TAE226

>  <Synonyms> (173)
N/A 

>  <Target> (173)
FAK

>  <Form> (173)
Free Base

>  <CAS> (173)
761437-28-9

>  <URL> (173)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (174)
174

>  <Formula> (174)
C15H10O7

>  <MolWeight> (174)
302.2357

>  <Cat> (174)
S2391

>  <Name> (174)
Quercetin (Sophoretin)

>  <Synonyms> (174)
Meletin, Quercetine

>  <Target> (174)
PI3K, PKC, Src, Sirtuin

>  <Form> (174)
Free Base

>  <CAS> (174)
117-39-5

>  <URL> (174)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Salidroside.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (175)
175

>  <Formula> (175)
C14H20O7

>  <MolWeight> (175)
300.3044

>  <Cat> (175)
S2396

>  <Name> (175)
Salidroside (Rhodioloside)

>  <Synonyms> (175)
Rhodioloside

>  <Target> (175)
Others

>  <Form> (175)
Free Base

>  <CAS> (175)
10338-51-9

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

$$$$
E7080.cdx
csChFnd80/07272117312D

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>  <Target> (176)
VEGFR

>  <Form> (176)
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417716-92-8

>  <URL> (176)
http://www.selleckchem.com/products/E7080.html

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>  <Formula> (177)
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>  <Synonyms> (177)
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>  <Target> (177)
MEK

>  <Form> (177)
Free Base

>  <CAS> (177)
869357-68-6

>  <URL> (177)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

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>  <Formula> (178)
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>  <Synonyms> (178)
N/A

>  <Target> (178)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (178)
Free Base

>  <CAS> (178)
1000669-72-6

>  <URL> (178)
http://www.selleckchem.com/products/KW-2449.html

$$$$
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>  <Synonyms> (179)
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>  <Target> (179)
Raf, VEGFR

>  <Form> (179)
Free Base

>  <CAS> (179)
927880-90-8

>  <URL> (179)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

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Daphnetin

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N/A 

>  <Target> (180)
DNA/RNA Synthesis

>  <Form> (180)
Free Base

>  <CAS> (180)
486-35-1

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

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JAK 

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1229236-86-5

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http://www.selleckchem.com/products/LY2784544.html

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EGFR, HER2

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Free Base

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848942-61-0

>  <URL> (182)
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PLK

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929095-18-1

>  <URL> (183)
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>  <Mol_ID> (184)
184

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C28H29FN6O8S

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N/A

>  <Target> (184)
Syk, Flt

>  <Form> (184)
Besylate

>  <CAS> (184)
841290-81-1

>  <URL> (184)
http://www.selleckchem.com/products/R406.html

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csChFnd80/07272117312D

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>  <Mol_ID> (185)
185

>  <Formula> (185)
C20H22F3N5O

>  <MolWeight> (185)
405.4167896

>  <Cat> (185)
S2198

>  <Name> (185)
SGI-1776 free base

>  <Synonyms> (185)
N/A

>  <Target> (185)
Pim

>  <Form> (185)
Free Base

>  <CAS> (185)
1025065-69-3

>  <URL> (185)
http://www.selleckchem.com/products/SGI-1776.html

$$$$
BMS817378.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (186)
186

>  <Formula> (186)
C23H15ClF2N4O3

>  <MolWeight> (186)
468.8400064

>  <Cat> (186)
S2201

>  <Name> (186)
BMS 794833

>  <Synonyms> (186)
BMS794833

>  <Target> (186)
c-Met, VEGFR

>  <Form> (186)
Free Base

>  <CAS> (186)
1174046-72-0

>  <URL> (186)
http://www.selleckchem.com/products/BMS-794833.html

$$$$
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187

>  <Formula> (187)
C26H20F3N7O

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>  <Cat> (187)
S2202

>  <Name> (187)
NVP-BHG712

>  <Synonyms> (187)
N/A

>  <Target> (187)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (187)
Free Base

>  <CAS> (187)
940310-85-0

>  <URL> (187)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
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>  <Mol_ID> (188)
188

>  <Formula> (188)
C21H22ClN3O4

>  <MolWeight> (188)
415.87008

>  <Cat> (188)
S2205

>  <Name> (188)
OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (188)
CP-473420 

>  <Target> (188)
EGFR

>  <Form> (188)
Hydrochloride

>  <CAS> (188)
183320-51-6

>  <URL> (188)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
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csChFnd80/07272117312D

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>  <Mol_ID> (189)
189

>  <Formula> (189)
C22H19N7O

>  <MolWeight> (189)
397.43256

>  <Cat> (189)
S2207

>  <Name> (189)
PIK-293

>  <Synonyms> (189)
N/A

>  <Target> (189)
PI3K

>  <Form> (189)
Free Base

>  <CAS> (189)
900185-01-5 

>  <URL> (189)
http://www.selleckchem.com/products/PIK-293.html

$$$$
Mubritinib.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (190)
190

>  <Formula> (190)
C25H23F3N4O2

>  <MolWeight> (190)
468.4709296

>  <Cat> (190)
S2216

>  <Name> (190)
Mubritinib (TAK 165)

>  <Synonyms> (190)
TAK 165, TAK165

>  <Target> (190)
HER2

>  <Form> (190)
Free Base

>  <CAS> (190)
366017-09-6

>  <URL> (190)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
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>  <Mol_ID> (191)
191

>  <Formula> (191)
C16H16N6O

>  <MolWeight> (191)
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>  <Cat> (191)
S2218

>  <Name> (191)
Torkinib (PP242)

>  <Synonyms> (191)
TORKinib 

>  <Target> (191)
mTOR

>  <Form> (191)
Free Base

>  <CAS> (191)
1092351-67-1

>  <URL> (191)
http://www.selleckchem.com/products/PP242.html

$$$$
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>  <Mol_ID> (192)
192

>  <Formula> (192)
C27H27N5O2

>  <MolWeight> (192)
453.53558

>  <Cat> (192)
S2220

>  <Name> (192)
SB590885

>  <Synonyms> (192)
GSK2118436 

>  <Target> (192)
Raf

>  <Form> (192)
Free Base

>  <CAS> (192)
405554-55-4 

>  <URL> (192)
http://www.selleckchem.com/products/SB590885.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C22H18O11

>  <MolWeight> (193)
458.37172

>  <Cat> (193)
S2250

>  <Name> (193)
(-)-Epigallocatechin gallate

>  <Synonyms> (193)
EGCG

>  <Target> (193)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (193)
Free Base

>  <CAS> (193)
989-51-5

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

$$$$
(+)-Usniacin.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C18H16O7

>  <MolWeight> (194)
344.31544

>  <Cat> (194)
S2252

>  <Name> (194)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (194)
D-Usnic acid

>  <Target> (194)
Others

>  <Form> (194)
Free Base

>  <CAS> (194)
7562-61-0

>  <URL> (194)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
AESCULIN.cdx
csChFnd80/07272117312D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C15H16O9

>  <MolWeight> (195)
340.28214

>  <Cat> (195)
S2258

>  <Name> (195)
Aesculin (Esculin)

>  <Synonyms> (195)
Esculin

>  <Target> (195)
Others

>  <Form> (195)
Free Base

>  <CAS> (195)
531-75-9

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

$$$$
Apigenin.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (196)
196

>  <Formula> (196)
C15H10O5

>  <MolWeight> (196)
270.2369

>  <Cat> (196)
S2262

>  <Name> (196)
Apigenin

>  <Synonyms> (196)
N/A

>  <Target> (196)
P450

>  <Form> (196)
Free Base

>  <CAS> (196)
520-36-5

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

$$$$
Asiatic acid.cdx
csChFnd80/07272117312D

 38 42  0  0  0  0  0  0  0  0999 V2000
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    1.7207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C30H48O5

>  <MolWeight> (197)
488.69912

>  <Cat> (197)
S2266

>  <Name> (197)
Asiatic acid

>  <Synonyms> (197)
N/A

>  <Target> (197)
p38 MAPK

>  <Form> (197)
Free Base

>  <CAS> (197)
464-92-6

>  <URL> (197)
http://www.selleckchem.com/products/Asiatic-acid.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/07272117312D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  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
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C20H18ClNO4

>  <MolWeight> (198)
371.81422

>  <Cat> (198)
S2271

>  <Name> (198)
Berberine chloride

>  <Synonyms> (198)
N/A

>  <Target> (198)
Antifection

>  <Form> (198)
chloride

>  <CAS> (198)
633-65-8

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

$$$$
Cryptotanshinone.cdx
csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C19H20O3

>  <MolWeight> (199)
296.3603

>  <Cat> (199)
S2285

>  <Name> (199)
Cryptotanshinone

>  <Synonyms> (199)
N/A

>  <Target> (199)
STAT

>  <Form> (199)
Free Base

>  <CAS> (199)
35825-57-1

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

$$$$
Emodin.cdx
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  1  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  2  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C15H10O5

>  <MolWeight> (200)
270.2369

>  <Cat> (200)
S2295

>  <Name> (200)
Emodin

>  <Synonyms> (200)
N/A

>  <Target> (200)
Dehydrogenase

>  <Form> (200)
Free Base

>  <CAS> (200)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C16H12O4

>  <MolWeight> (201)
268.26408

>  <Cat> (201)
S2299

>  <Name> (201)
Formononetin (Formononetol)

>  <Synonyms> (201)
Biochanin B, Formononetol 

>  <Target> (201)
Others

>  <Form> (201)
Free Base

>  <CAS> (201)
485-72-3

>  <URL> (201)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

$$$$
Fumalic acid.cdx
csChFnd80/07272117312D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C10H10O4

>  <MolWeight> (202)
194.184

>  <Cat> (202)
S2300

>  <Name> (202)
Fumalic acid (Ferulic acid)

>  <Synonyms> (202)
Ferulic acid

>  <Target> (202)
Others

>  <Form> (202)
Free Base

>  <CAS> (202)
1135-24-6

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

$$$$
Hesperetin.cdx
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
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  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
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 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C16H14O6

>  <MolWeight> (203)
302.27876

>  <Cat> (203)
S2308

>  <Name> (203)
Hesperetin

>  <Synonyms> (203)
N/A

>  <Target> (203)
Histamine Receptor

>  <Form> (203)
Free Base

>  <CAS> (203)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/07272117312D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C18H18O2

>  <MolWeight> (204)
266.33432

>  <Cat> (204)
S2310

>  <Name> (204)
Honokiol

>  <Synonyms> (204)
N/A

>  <Target> (204)
Akt, MEK

>  <Form> (204)
Free Base

>  <CAS> (204)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C15H10O8

>  <MolWeight> (205)
318.2351

>  <Cat> (205)
S2326

>  <Name> (205)
Myricetin (Cannabiscetin)

>  <Synonyms> (205)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (205)
NULL

>  <Form> (205)
Free Base

>  <CAS> (205)
529-44-2

>  <URL> (205)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/07272117312D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 29 24  1  0  0  0  0
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M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C21H20O12

>  <MolWeight> (206)
464.3763

>  <Cat> (206)
S2327

>  <Name> (206)
Myricitrin (Myricitrine)

>  <Synonyms> (206)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (206)
PKC

>  <Form> (206)
Free Base

>  <CAS> (206)
17912-87-7

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

$$$$
Oridonin.cdx
csChFnd80/07272117312D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C20H28O6

>  <MolWeight> (207)
364.43272

>  <Cat> (207)
S2335

>  <Name> (207)
Oridonin (Isodonol)

>  <Synonyms> (207)
Isodonol

>  <Target> (207)
Others

>  <Form> (207)
Free Base

>  <CAS> (207)
28957-04-2

>  <URL> (207)
http://www.selleckchem.com/products/Oridonin(Isodonol).html

$$$$
Quercetin dihydrate.cdx
csChFnd80/07272117312D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C15H14O9

>  <MolWeight> (208)
338.26626

>  <Cat> (208)
S2347

>  <Name> (208)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (208)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (208)
Others

>  <Form> (208)
Dihydrate

>  <CAS> (208)
6151-25-3

>  <URL> (208)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C15H12O8

>  <MolWeight> (209)
320.25098

>  <Cat> (209)
S2399

>  <Name> (209)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (209)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (209)
Others

>  <Form> (209)
Free Base

>  <CAS> (209)
27200-12-0

>  <URL> (209)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C15H22N2O

>  <MolWeight> (210)
246.34798

>  <Cat> (210)
S2405

>  <Name> (210)
Sophocarpine

>  <Synonyms> (210)
N/A

>  <Target> (210)
Others

>  <Form> (210)
Free Base

>  <CAS> (210)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C15H10O4

>  <MolWeight> (211)
254.2375

>  <Cat> (211)
S2406

>  <Name> (211)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (211)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (211)
EGFR, mTOR

>  <Form> (211)
Free Base

>  <CAS> (211)
481-74-3

>  <URL> (211)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/07272117312D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C15H24O2

>  <MolWeight> (212)
236.34986

>  <Cat> (212)
S2407

>  <Name> (212)
Curcumol

>  <Synonyms> (212)
N/A

>  <Target> (212)
JAK

>  <Form> (212)
Free Base

>  <CAS> (212)
4871-97-0

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

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/07272117312D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C18H29ClN2O

>  <MolWeight> (213)
324.88866

>  <Cat> (213)
S2454

>  <Name> (213)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (213)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (213)
Sodium Channel

>  <Form> (213)
Hydrochloride

>  <CAS> (213)
18010-40-7

>  <URL> (213)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
Imatinib.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (214)
214

>  <Formula> (214)
C29H31N7O

>  <MolWeight> (214)
493.60274

>  <Cat> (214)
S2475

>  <Name> (214)
Imatinib (STI571) 

>  <Synonyms> (214)
STI571, Glivec

>  <Form> (214)
Free Base

>  <CAS> (214)
152459-95-5

>  <URL> (214)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$
PCI-32765.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (215)
215

>  <Formula> (215)
C25H24N6O2

>  <MolWeight> (215)
440.49706

>  <Cat> (215)
S2680

>  <Name> (215)
PCI-32765 (Ibrutinib)

>  <Synonyms> (215)
N/A

>  <Target> (215)
Src

>  <Form> (215)
Free Base

>  <CAS> (215)
936563-96-1

>  <URL> (215)
http://www.selleckchem.com/products/pci-32765.html

$$$$
TAK-901.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (216)
216

>  <Formula> (216)
C28H32N4O3S

>  <MolWeight> (216)
504.64368

>  <Cat> (216)
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>  <Name> (216)
TAK-901

>  <Synonyms> (216)
N/A

>  <Target> (216)
Aurora Kinase

>  <Form> (216)
Free Base

>  <CAS> (216)
934541-31-8

>  <URL> (216)
http://www.selleckchem.com/products/tak-901.html

$$$$
TG1012009.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C26H35N7O2S

>  <MolWeight> (217)
509.6668

>  <Cat> (217)
S2692

>  <Name> (217)
TG101209

>  <Synonyms> (217)
N/A

>  <Target> (217)
Flt, JAK, c-RET

>  <Form> (217)
Free Base

>  <CAS> (217)
936091-14-4

>  <URL> (217)
http://www.selleckchem.com/products/tg101209.html

$$$$
AMG900.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C28H21N7OS

>  <MolWeight> (218)
503.57764

>  <Cat> (218)
S2719

>  <Name> (218)
AMG 900

>  <Synonyms> (218)
N/A

>  <Target> (218)
Aurora Kinase

>  <Form> (218)
Free Base

>  <CAS> (218)
945595-80-2

>  <URL> (218)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (219)
219

>  <Formula> (219)
C22H30Cl2N4O6

>  <MolWeight> (219)
517.4028

>  <Cat> (219)
S2485

>  <Name> (219)
Mitoxantrone 2HCl

>  <Synonyms> (219)
NSC-301739

>  <Target> (219)
Topoisomerase

>  <Form> (219)
Dihydrochloride

>  <CAS> (219)
70476-82-3

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

$$$$
GSK2126458.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C25H17F2N5O3S

>  <MolWeight> (220)
505.4959864

>  <Cat> (220)
S2658

>  <Name> (220)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (220)
N/A 

>  <Target> (220)
PI3K, mTOR

>  <Form> (220)
Free Base

>  <CAS> (220)
1086062-66-9 

>  <URL> (220)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C19H34ClNO2

>  <MolWeight> (221)
343.93176

>  <Cat> (221)
S5002

>  <Name> (221)
Fingolimod (FTY720) HCl

>  <Synonyms> (221)
Gilenia 

>  <Target> (221)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (221)
Hydrochloride

>  <URL> (221)
http://www.selleckchem.com/products/FTY720.html

$$$$
CAL-1011.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C22H18FN7O

>  <MolWeight> (222)
415.4230232

>  <Cat> (222)
S2226

>  <Name> (222)
CAL-101 (GS-1101)

>  <Synonyms> (222)
CAL101

>  <Target> (222)
PI3K 

>  <Form> (222)
Free Base

>  <CAS> (222)
870281-82-6

>  <URL> (222)
http://www.selleckchem.com/products/CAL-101.html

$$$$
BI 6727.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (223)
223

>  <Formula> (223)
C34H50N8O3

>  <MolWeight> (223)
618.8126

>  <Cat> (223)
S2235

>  <Name> (223)
BI6727 (Volasertib)

>  <Synonyms> (223)
N/A 

>  <Target> (223)
PLK 

>  <Form> (223)
Free Base

>  <CAS> (223)
755038-65-4

>  <URL> (223)
http://www.selleckchem.com/products/BI6727-Volasertib.html

$$$$
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>  <Formula> (224)
C28H23N7O2

>  <MolWeight> (224)
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S2227

>  <Name> (224)
PIK-294

>  <Synonyms> (224)
N/A 

>  <Target> (224)
PI3K 

>  <Form> (224)
Free Base

>  <CAS> (224)
900185-02-6

>  <URL> (224)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (225)
225

>  <Formula> (225)
C20H16ClN5O3

>  <MolWeight> (225)
409.82574

>  <Cat> (225)
S2231

>  <Name> (225)
Telatinib (BAY 57-9352)

>  <Synonyms> (225)
N/A 

>  <Target> (225)
VEGFR, PDGFR, c-Kit

>  <Form> (225)
Free Base

>  <CAS> (225)
332012-40-5

>  <URL> (225)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (226)
226

>  <Formula> (226)
C10H16ClN5

>  <MolWeight> (226)
241.72054

>  <Cat> (226)
S2542

>  <Name> (226)
Phenformin hydrochloride 

>  <Synonyms> (226)
N/A

>  <Target> (226)
AMPK

>  <Form> (226)
Hydrochloride 

>  <CAS> (226)
834-28-6

>  <URL> (226)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
AZD5438.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (227)
227

>  <Formula> (227)
C18H21N5O2S

>  <MolWeight> (227)
371.45664

>  <Cat> (227)
S2621

>  <Name> (227)
AZD5438

>  <Synonyms> (227)
N/A 

>  <Target> (227)
CDK

>  <Form> (227)
Free Base

>  <CAS> (227)
602306-29-6 

>  <URL> (227)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/07272117312D

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228

>  <Formula> (228)
C21H22N6O3

>  <MolWeight> (228)
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>  <Cat> (228)
S2624

>  <Name> (228)
OSI-027

>  <Synonyms> (228)
N/A 

>  <Target> (228)
mTOR

>  <Form> (228)
Free Base

>  <CAS> (228)
936890-98-1

>  <URL> (228)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (229)
229

>  <Formula> (229)
C17H17N7

>  <MolWeight> (229)
319.36378

>  <Cat> (229)
S2622

>  <Name> (229)
PP-121

>  <Synonyms> (229)
N/A

>  <Target> (229)
DNA-PK, mTOR, PDGF

>  <Form> (229)
Free Base

>  <CAS> (229)
1092788-83-4

>  <URL> (229)
http://www.selleckchem.com/products/PP121.html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C11H18ClNO3

>  <MolWeight> (230)
247.71852

>  <Cat> (230)
S2566

>  <Name> (230)
Isoprenaline hydrochloride

>  <Synonyms> (230)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (230)
Adrenergic Receptor

>  <Form> (230)
Hydrochloride

>  <CAS> (230)
51-30-9

>  <URL> (230)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

$$$$
BKM-120.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (231)
231

>  <Formula> (231)
C18H21F3N6O2

>  <MolWeight> (231)
410.3935496

>  <Cat> (231)
S2247

>  <Name> (231)
BKM120 (NVP-BKM120)

>  <Synonyms> (231)
N/A 

>  <Target> (231)
PI3K

>  <Form> (231)
Free Base

>  <CAS> (231)
944396-07-0

>  <URL> (231)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (232)
232

>  <Formula> (232)
C19H12ClN3O2

>  <MolWeight> (232)
349.77048

>  <Cat> (232)
S2248

>  <Name> (232)
cx-4945 (Silmitasertib)

>  <Synonyms> (232)
N/A 

>  <Target> (232)
PKC

>  <Form> (232)
Free Base

>  <CAS> (232)
1009820-21-6

>  <URL> (232)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
LY2157299.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (233)
233

>  <Formula> (233)
C22H19N5O

>  <MolWeight> (233)
369.41916

>  <Cat> (233)
S2230

>  <Name> (233)
Galunisertib (LY2157299)

>  <Synonyms> (233)
N/A 

>  <Target> (233)
TGF-beta/Smad

>  <Form> (233)
Free Base

>  <CAS> (233)
700874-72-2

>  <URL> (233)
http://www.selleckchem.com/products/ly2157299.html

$$$$
TAK733.cdx
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1234703-40-2

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939791-38-5

>  <URL> (244)
http://www.selleckchem.com/products/pf-00562271.html

$$$$
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>  <CAS> (245)
741713-40-6

>  <URL> (245)
http://www.selleckchem.com/products/r547.html

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1062159-35-6 

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mTOR

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1144068-46-1

>  <URL> (247)
http://www.selleckchem.com/products/wye-125132.html

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http://www.selleckchem.com/products/PHA-665752.html

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Geldanamycin

>  <Synonyms> (255)
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HSP

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Free Base

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30562-34-6

>  <URL> (255)
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897016-82-9

>  <URL> (256)
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Raf

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208260-29-1

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http://www.selleckchem.com/products/gsk1070916.html

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>  <Target> (261)
Kinesin

>  <Form> (261)
Free Base

>  <CAS> (261)
1124329-14-1

>  <URL> (261)
http://www.selleckchem.com/products/az-3146.html

$$$$
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N/A

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PI3K, mTOR

>  <Form> (262)
Free Base

>  <CAS> (262)
1007207-67-1

>  <URL> (262)
http://www.selleckchem.com/products/ch5132799.html

$$$$
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>  <Mol_ID> (263)
263

>  <Formula> (263)
C23H30N8O3S

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>  <Name> (263)
Apitolisib (GDC-0980, RG7422)

>  <Synonyms> (263)
N/A 

>  <Target> (263)
mTOR, PI3K

>  <Form> (263)
Free Base

>  <CAS> (263)
1032754-93-0

>  <URL> (263)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
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csChFnd80/07272117312D

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>  <Mol_ID> (264)
264

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C21H21Cl2NO5

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S2679

>  <Name> (264)
Flavopiridol (Alvocidib) HCl

>  <Synonyms> (264)
N/A

>  <Target> (264)
CDK

>  <Form> (264)
Hydrochloride

>  <CAS> (264)
131740-09-5

>  <URL> (264)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

$$$$
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N/A

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p38 MAPK

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Free Base

>  <CAS> (265)
586379-66-0

>  <URL> (265)
http://www.selleckchem.com/products/ph-797804.html

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EGFR

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1110813-31-4

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264218-23-7

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http://www.selleckchem.com/products/sb-415286.html

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1224844-38-5

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779353-01-4

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270

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MK-5108 (VX-689)

>  <Synonyms> (270)
N/A 

>  <Target> (270)
Aurora Kinase

>  <Form> (270)
Free Base

>  <CAS> (270)
1010085-13-8

>  <URL> (270)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
CP868569.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (271)
271

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C26H29N5O2

>  <MolWeight> (271)
443.54076

>  <Cat> (271)
S2730

>  <Name> (271)
Crenolanib (CP-868596)

>  <Synonyms> (271)
N/A 

>  <Target> (271)
PDGFR

>  <Form> (271)
Free Base

>  <CAS> (271)
670220-88-9

>  <URL> (271)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

$$$$
AG-1478.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (272)
272

>  <Formula> (272)
C16H14ClN3O2

>  <MolWeight> (272)
315.75426

>  <Cat> (272)
S2728

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AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (272)
Tyrphostin AG-1478

>  <Target> (272)
EGFR

>  <Form> (272)
Free Base

>  <CAS> (272)
153436-53-4

>  <URL> (272)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (273)
273

>  <Formula> (273)
C22H27N5O4

>  <MolWeight> (273)
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>  <Cat> (273)
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>  <Name> (273)
PF-04691502

>  <Synonyms> (273)
N/A

>  <Target> (273)
mTOR, PI3K, Akt

>  <Form> (273)
Free Base

>  <CAS> (273)
1013101-36-4 

>  <URL> (273)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/07272117312D

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   14.5240    5.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6 13  1  0  0  0  0
  4 14  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 33 34  2  0  0  0  0
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M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C28H32ClN3O6

>  <MolWeight> (274)
542.02318

>  <Cat> (274)
S2017

>  <Name> (274)
Benidipine hydrochloride

>  <Synonyms> (274)
N/A

>  <Target> (274)
calcium channel

>  <Form> (274)
Hydrochloride

>  <CAS> (274)
91599-74-5

>  <URL> (274)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

$$$$
Lonidamine.cdx
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C15H10Cl2N2O2

>  <MolWeight> (275)
321.1581

>  <Cat> (275)
S2610

>  <Name> (275)
Lonidamine

>  <Synonyms> (275)
N/A

>  <Target> (275)
Others

>  <Form> (275)
Free Base

>  <CAS> (275)
50264-69-2

>  <URL> (275)
http://www.selleckchem.com/products/lonidamine.html

$$$$
CP 673451.cdx
csChFnd80/07272117312D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C24H27N5O2

>  <MolWeight> (276)
417.50348

>  <Cat> (276)
S1536

>  <Name> (276)
CP 673451

>  <Synonyms> (276)
CP673451 

>  <Target> (276)
Others

>  <Form> (276)
Free Base

>  <CAS> (276)
343787-29-1

>  <URL> (276)
http://www.selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/07272117312D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C25H43NO18

>  <MolWeight> (277)
645.60482

>  <Cat> (277)
S1271

>  <Name> (277)
Acarbose

>  <Synonyms> (277)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (277)
Others

>  <Form> (277)
Free Base

>  <CAS> (277)
56180-94-0

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

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/07272117312D

 17 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (278)
278

>  <Formula> (278)
C14H22N2O

>  <MolWeight> (278)
234.33728

>  <Cat> (278)
S1357

>  <Name> (278)
Lidocaine (Alphacaine)

>  <Synonyms> (278)
Alphacaine, Xylocaine, lignocaine

>  <Target> (278)
Histamine Receptor

>  <Form> (278)
Free Base

>  <CAS> (278)
137-58-6

>  <URL> (278)
http://www.selleckchem.com/products/Lidocaine.html

$$$$
PHA.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (279)
279

>  <Formula> (279)
C12H11N3O

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213.23524

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S2742

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PHA-767491

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N/A 

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CDK

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Free Base

>  <CAS> (279)
845714-00-3

>  <URL> (279)
http://www.selleckchem.com/products/pha-767491.html

$$$$
Sodium salicylate.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C7H6NaO3

>  <MolWeight> (280)
161.11051

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S3137

>  <Name> (280)
Sodium salicylate

>  <Synonyms> (280)
N/A 

>  <Target> (280)
NF-¦ÊB

>  <Form> (280)
sodium salt

>  <CAS> (280)
54-21-7

>  <URL> (280)
http://www.selleckchem.com/products/sodium-salicylate.html

$$$$
TPCA-1.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C12H10FN3O2S

>  <MolWeight> (281)
279.2901032

>  <Cat> (281)
S2824

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TPCA-1

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N/A 

>  <Target> (281)
IKK

>  <Form> (281)
Free Base

>  <CAS> (281)
507475-17-4

>  <URL> (281)
http://www.selleckchem.com/products/tpca-1.html

$$$$
AZD 6482.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (282)
282

>  <Formula> (282)
C22H24N4O4

>  <MolWeight> (282)
408.45036

>  <Cat> (282)
S1462

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AZD6482

>  <Synonyms> (282)
N/A 

>  <Target> (282)
PI3K

>  <Form> (282)
Free Base

>  <CAS> (282)
1173900-33-8

>  <URL> (282)
http://www.selleckchem.com/products/azd6482.html

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/07272117312D

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865854-05-3 

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289

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C33H37F2N7O4

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>  <Cat> (289)
S2859

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Golvatinib (E7050) 

>  <Synonyms> (289)
E7050

>  <Target> (289)
c-Met, VEGFR

>  <Form> (289)
Free Base

>  <CAS> (289)
928037-13-2

>  <URL> (289)
http://www.selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/07272117312D

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290

>  <Formula> (290)
C16H14BrN3O3

>  <MolWeight> (290)
376.20466

>  <Cat> (290)
S2867

>  <Name> (290)
WHI-P154

>  <Synonyms> (290)
N/A

>  <Target> (290)
JAK, EGFR

>  <Form> (290)
Free Base

>  <CAS> (290)
211555-04-3

>  <URL> (290)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Schisandrin B.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C23H28O6

>  <MolWeight> (291)
400.46482

>  <Cat> (291)
S3600

>  <Name> (291)
Schisandrin B

>  <Synonyms> (291)
N/A

>  <Target> (291)
Others

>  <Form> (291)
Free Base

>  <CAS> (291)
61281-37-6

>  <URL> (291)
http://www.selleckchem.com/products/schisandrin-b.html

$$$$
IKK-16.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (292)
292

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>  <Mol_ID> (297)
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>  <Formula> (297)
C16H13ClFN3O2

>  <MolWeight> (297)
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>  <Cat> (297)
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ZM 306416

>  <Synonyms> (297)
N/A

>  <Target> (297)
VEGFR

>  <Form> (297)
Free Base

>  <CAS> (297)
690206-97-4

>  <URL> (297)
http://www.selleckchem.com/products/zm-306416.html

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (298)
298

>  <Formula> (298)
C19H21ClFNO3

>  <MolWeight> (298)
365.8263432

>  <Cat> (298)
S3005

>  <Name> (298)
Paroxetine HCl

>  <Synonyms> (298)
N/A

>  <Target> (298)
5-HT Receptor

>  <Form> (298)
Hydrochloride

>  <CAS> (298)
78246-49-8

>  <URL> (298)
http://www.selleckchem.com/products/paroxetine-hcl.html

$$$$
PF477736.cdx
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>  <Mol_ID> (299)
299

>  <Formula> (299)
C22H25N7O2

>  <MolWeight> (299)
419.4796

>  <Cat> (299)
S2904

>  <Name> (299)
PF 477736

>  <Synonyms> (299)
PF-00477736

>  <Target> (299)
Chk

>  <Form> (299)
Free Base

>  <CAS> (299)
952021-60-2

>  <URL> (299)
http://www.selleckchem.com/products/pf-477736.html

$$$$
Go 6983.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (300)
300

>  <Formula> (300)
C26H26N4O3

>  <MolWeight> (300)
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>  <Cat> (300)
S2911

>  <Name> (300)
Go 6983

>  <Synonyms> (300)
N/A

>  <Target> (300)
PKC

>  <Form> (300)
Free Base

>  <CAS> (300)
133053-19-7

>  <URL> (300)
http://www.selleckchem.com/products/go-6983.html

$$$$
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M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C24H21N3OS

>  <MolWeight> (305)
399.50804

>  <Cat> (305)
S2928

>  <Name> (305)
TAK 715

>  <Synonyms> (305)
N/A 

>  <Target> (305)
p38 MAPK

>  <Form> (305)
Free Base

>  <CAS> (305)
303162-79-0

>  <URL> (305)
http://www.selleckchem.com/products/tak-715.html

$$$$
TDZD-8.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C10H10N2O2S

>  <MolWeight> (306)
222.2636

>  <Cat> (306)
S2926

>  <Name> (306)
TDZD-8

>  <Synonyms> (306)
N/A

>  <Target> (306)
GSK-3

>  <Form> (306)
Free Base

>  <CAS> (306)
327036-89-5 

>  <URL> (306)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
Melatonin.cdx
csChFnd80/07272117312D

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   10.5795    3.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C13H16N2O2

>  <MolWeight> (307)
232.27834

>  <Cat> (307)
S1204

>  <Name> (307)
Melatonin

>  <Synonyms> (307)
Melatonex

>  <Target> (307)
MT Receptor

>  <Form> (307)
Free Base

>  <CAS> (307)
73-31-4

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

$$$$
H-89.cdx
csChFnd80/07272117312D

 29 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.2082    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C20H22BrCl2N3O2S

>  <MolWeight> (308)
519.28258

>  <Cat> (308)
S1582

>  <Name> (308)
H 89 2HCl

>  <Synonyms> (308)
N/A

>  <Target> (308)
S6 Kinase

>  <Form> (308)
Dihydrochloride

>  <CAS> (308)
130964-39-5

>  <URL> (308)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    1.3951    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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 14  2  1  0  0  0  0
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 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C15H13N3O3S

>  <MolWeight> (309)
315.34702

>  <Cat> (309)
S1830

>  <Name> (309)
Oxfendazole

>  <Synonyms> (309)
N/A

>  <Target> (309)
Antifection

>  <Form> (309)
Free Base

>  <CAS> (309)
53716-50-0

>  <URL> (309)
http://www.selleckchem.com/products/oxfendazole.html

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/07272117312D

 22 22  0  0  0  0  0  0  0  0999 V2000
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    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C18H23Cl2NO

>  <MolWeight> (310)
340.28732

>  <Cat> (310)
S2499

>  <Name> (310)
Phenoxybenzamine HCl

>  <Synonyms> (310)
N/A

>  <Target> (310)
Androgen Receptor

>  <Form> (310)
HCl

>  <CAS> (310)
63-92-3

>  <URL> (310)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

$$$$
Pazopanib.cdx
csChFnd80/07272117312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (311)
311

>  <Formula> (311)
C21H23N7O2S

>  <MolWeight> (311)
437.51802

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S3012

>  <Name> (311)
Pazopanib

>  <Synonyms> (311)
N/A

>  <Target> (311)
VEGFR

>  <Form> (311)
Free Base

>  <CAS> (311)
444731-52-6

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

$$$$
GNF-2.cdx
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>  <Mol_ID> (312)
312

>  <Formula> (312)
C18H13F3N4O2

>  <MolWeight> (312)
374.3166296

>  <Cat> (312)
S2899

>  <Name> (312)
GNF-2

>  <Synonyms> (312)
N/A

>  <Target> (312)
Bcr-Abl

>  <Form> (312)
Free Base

>  <CAS> (312)
778270-11-4

>  <URL> (312)
http://www.selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (313)
313

>  <Formula> (313)
C26H23N5O

>  <MolWeight> (313)
421.49372

>  <Cat> (313)
S1091

>  <Name> (313)
OSI-906 (Linsitinib)

>  <Synonyms> (313)
N/A

>  <Target> (313)
IGF-1R

>  <Form> (313)
Free Base

>  <CAS> (313)
867160-71-2

>  <URL> (313)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (314)
314

>  <Formula> (314)
C9H14N4O5

>  <MolWeight> (314)
258.23126

>  <Cat> (314)
S1802

>  <Name> (314)
AICAR (Acadesine)

>  <Synonyms> (314)
AICAR, AICA-riboside

>  <Target> (314)
AMPK

>  <Form> (314)
Free Base

>  <CAS> (314)
2627-69-2

>  <URL> (314)
http://www.selleckchem.com/products/Acadesine.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/07272117312D

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Cabozantinib malate

>  <Synonyms> (315)
N/A

>  <Target> (315)
VEGFR

>  <Form> (315)
Malate

>  <CAS> (315)
1140909-48-3

>  <URL> (315)
http://www.selleckchem.com/products/cabozantinib-malate.html

$$$$
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316

>  <Formula> (316)
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>  <Cat> (316)
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>  <Name> (316)
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>  <Synonyms> (316)
PF-04708671

>  <Target> (316)
S6 Kinase

>  <Form> (316)
Free Base

>  <CAS> (316)
1255517-76-0

>  <URL> (316)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
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>  <Mol_ID> (317)
317

>  <Formula> (317)
C42H38O20

>  <MolWeight> (317)
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>  <Cat> (317)
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>  <Name> (317)
Sennoside B

>  <Synonyms> (317)
N/A

>  <Target> (317)
Others

>  <Form> (317)
Free Base

>  <CAS> (317)
128-57-4

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

$$$$
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C29H29N7O2

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N/A

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Free Base

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Free Base

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1410880-22-6

>  <URL> (318)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
SC-514.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (319)
319

>  <Formula> (319)
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N/A

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I¦ÊB/IKK

>  <Form> (319)
Free Base

>  <CAS> (319)
354812-17-2

>  <URL> (319)
http://www.selleckchem.com/products/sc-514.html

$$$$
Doxapram HCl.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (320)
320

>  <Formula> (320)
C24H33ClN2O3

>  <MolWeight> (320)
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>  <Cat> (320)
S4037

>  <Name> (320)
Doxapram HCl

>  <Synonyms> (320)
N/A

>  <Target> (320)
Potassium Channel

>  <Form> (320)
HCl

>  <CAS> (320)
7081-53-0

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

$$$$
nifuroxazide.cdx
csChFnd80/07272117312D

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321

>  <Formula> (321)
C12H9N3O5

>  <MolWeight> (321)
275.21696

>  <Cat> (321)
S4182

>  <Name> (321)
Nifuroxazide

>  <Synonyms> (321)
N/A

>  <Target> (321)
STAT

>  <Form> (321)
Free Base

>  <CAS> (321)
965-52-6

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

$$$$
MDBN.cdx
csChFnd80/07272117312D

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322

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C9H7NO4

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S4921

>  <Name> (322)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Synonyms> (322)
N/A

>  <Target> (322)
Tyrosinase,p97,Syk,Src

>  <Form> (322)
Free Base

>  <CAS> (322)
1485-00-3

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

$$$$
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M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C19H9Cl2F2N3OS

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S1458

>  <Name> (323)
VX-745

>  <Synonyms> (323)
N/A

>  <Target> (323)
p38 MAPK 

>  <Form> (323)
Free Base

>  <CAS> (323)
209410-46-8

>  <URL> (323)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (324)
324

>  <Formula> (324)
C13H16N6O4

>  <MolWeight> (324)
320.30394

>  <Cat> (324)
S1117

>  <Name> (324)
Triciribine

>  <Synonyms> (324)
N/A

>  <Target> (324)
Akt

>  <Form> (324)
Free Base

>  <CAS> (324)
35943-35-2

>  <URL> (324)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (325)
325

>  <Formula> (325)
C15H12O7

>  <MolWeight> (325)
304.25158

>  <Cat> (325)
S2366

>  <Name> (325)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (325)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (325)
VEGFR

>  <Form> (325)
Free Base

>  <CAS> (325)
480-18-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (326)
326

>  <Formula> (326)
C14H10F3NO2

>  <MolWeight> (326)
281.2299096

>  <Cat> (326)
S4268

>  <Name> (326)
Flufenamic acid

>  <Synonyms> (326)
N/A

>  <Target> (326)
COX

>  <Form> (326)
Free Base

>  <CAS> (326)
530-78-9

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

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/07272117312D

 31 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (327)
327

>  <Formula> (327)
C19H20F3IN2O5S

>  <MolWeight> (327)
572.3371796

>  <Cat> (327)
S1089

>  <Name> (327)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (327)
BAY 869766

>  <Target> (327)
MEK

>  <Form> (327)
Free Base

>  <CAS> (327)
923032-37-5

>  <URL> (327)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (328)
328

>  <Formula> (328)
C19H12O6

>  <MolWeight> (328)
336.29498

>  <Cat> (328)
S4299

>  <Name> (328)
Dicoumarol

>  <Synonyms> (328)
Dicumarol

>  <Target> (328)
Others

>  <Form> (328)
Free Base

>  <CAS> (328)
66-76-2

>  <URL> (328)
http://www.selleckchem.com/products/dicoumarol.html

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C24H25ClFN5O3

>  <MolWeight> (329)
485.9384032

>  <Cat> (329)
S1011

>  <Name> (329)
Afatinib (BIBW2992)

>  <Synonyms> (329)
N/A

>  <Target> (329)
EGFR

>  <Form> (329)
Free Base

>  <CAS> (329)
439081-18-2

>  <URL> (329)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C44H69NO12

>  <MolWeight> (330)
804.01816

>  <Cat> (330)
S5003

>  <Name> (330)
Tacrolimus (FK506)

>  <Synonyms> (330)
FR900506

>  <Target> (330)
mTOR

>  <Form> (330)
Free Base

>  <CAS> (330)
104987-11-3

>  <URL> (330)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (331)
331

>  <Formula> (331)
C56H87NO16

>  <MolWeight> (331)
1030.28708

>  <Cat> (331)
S1044

>  <Name> (331)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (331)
N/A

>  <Target> (331)
mTOR

>  <Form> (331)
Free Base

>  <CAS> (331)
162635-04-3

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (332)
332

>  <Formula> (332)
C25H31N7O6

>  <MolWeight> (332)
525.55694

>  <Cat> (332)
S2018

>  <Name> (332)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (332)
N/A

>  <Target> (332)
FLT3

>  <Form> (332)
Free Base

>  <CAS> (332)
1291074-87-7

>  <URL> (332)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (333)
333

>  <Formula> (333)
C21H22Cl2FN5O

>  <MolWeight> (333)
450.3366832

>  <Cat> (333)
S1068

>  <Name> (333)
Crizotinib (PF-02341066)

>  <Synonyms> (333)
N/A 

>  <Target> (333)
c-Met, ALK

>  <Form> (333)
Free Base

>  <CAS> (333)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (333)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
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csChFnd80/07272117312D

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 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C27H27FN8O3

>  <MolWeight> (334)
530.5534832

>  <Cat> (334)
S1056

>  <Name> (334)
AC480 (BMS-599626)

>  <Synonyms> (334)
N/A

>  <Target> (334)
HER2

>  <Form> (334)
Free Base

>  <CAS> (334)
714971-09-2

>  <URL> (334)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/07272117312D

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  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
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  6 12  1  0  0  0  0
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 28 23  1  0  0  0  0
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C21H20ClNO5

>  <MolWeight> (335)
401.8402

>  <Cat> (335)
S1230

>  <Name> (335)
Flavopiridol (Alvocidib)

>  <Synonyms> (335)
NSC 649890 HCl,HMR-1275

>  <Target> (335)
CDK

>  <Form> (335)
Free Base

>  <CAS> (335)
146426-40-6

>  <URL> (335)
http://www.selleckchem.com/products/Flavopiridol.html

$$$$
6-Benzylaminopurine.cdx
csChFnd80/07272117312D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C12H11N5

>  <MolWeight> (336)
225.24924

>  <Cat> (336)
S4511

>  <Name> (336)
6-Benzylaminopurine

>  <Synonyms> (336)
N/A

>  <Target> (336)
Others

>  <Form> (336)
Free Base

>  <CAS> (336)
1214-39-7

>  <URL> (336)
http://www.selleckchem.com/products/6-benzylaminopurine.html

$$$$

csChFnd80/07272117312D

 20 15  0  0  0  0  0  0  0  0999 V2000
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9710   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2488   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
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 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C6H13Li3O11

>  <MolWeight> (337)
281.98382

>  <Cat> (337)
S4519

>  <Name> (337)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (337)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (337)
Others

>  <Form> (337)
Free Base

>  <CAS> (337)
6080-58-6

>  <URL> (337)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
Danthron.cdx
csChFnd80/07272117312D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C14H8O4

>  <MolWeight> (338)
240.21092

>  <Cat> (338)
S4561

>  <Name> (338)
Danthron

>  <Synonyms> (338)
chrysazin, Antrapurol

>  <Target> (338)
Others

>  <Form> (338)
Free Base

>  <CAS> (338)
117-10-2

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

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/07272117312D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  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
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C14H23ClN2O

>  <MolWeight> (339)
270.79822

>  <Cat> (339)
S4667

>  <Name> (339)
Lidocaine hydrochloride

>  <Synonyms> (339)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (339)
Others

>  <Form> (339)
hydrochloride

>  <CAS> (339)
73-78-9

>  <URL> (339)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4711 Esculetin.cdx
csChFnd80/07272117312D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C9H6O4

>  <MolWeight> (340)
178.14154

>  <Cat> (340)
S4711

>  <Name> (340)
Esculetin

>  <Synonyms> (340)
Cichorigenin|Aesculetin

>  <Target> (340)
Others

>  <Form> (340)
Free Base

>  <CAS> (340)
305-01-1

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

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/07272117312D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C6H12O5

>  <MolWeight> (341)
164.15648

>  <Cat> (341)
S4701

>  <Name> (341)
2-Deoxy-D-glucose

>  <Synonyms> (341)
2-deoxyglucose, NSC 15193

>  <Target> (341)
Others

>  <Form> (341)
Free Base

>  <CAS> (341)
154-17-6

>  <URL> (341)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/07272117312D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C21H26ClN3OS

>  <MolWeight> (342)
403.96864

>  <Cat> (342)
S4731

>  <Name> (342)
Perphenazine

>  <Synonyms> (342)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (342)
Dopamine Receptor

>  <Form> (342)
Free Base

>  <CAS> (342)
58-39-9

>  <URL> (342)
http://www.selleckchem.com/products/perphenazine.html

$$$$

csChFnd80/07272117312D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.2532    2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    3.5853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    3.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0034    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7454    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5952    3.7673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.4449    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6574    4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8698    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0358    5.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  6  7  1  0  0  0  0
  1  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 13 18  1  0  0  0  0
 20 21  1  0  0  0  0
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 19 20  1  0  0  0  0
 16 19  1  6  0  0  0
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  5 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C20H30N4O2

>  <MolWeight> (343)
358.4778

>  <Cat> (343)
S1024

>  <Name> (343)
LTI-291

>  <Synonyms> (343)
N/A

>  <Target> (343)
Others

>  <Form> (343)
Free Base

>  <CAS> (343)
1919820-28-2

>  <URL> (343)
http://www.selleck.cn/products/lti-291.html

$$$$
S4736 Trapidil.cdx
csChFnd80/07272117312D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 14  1  0  0  0  0
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  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C10H15N5

>  <MolWeight> (344)
205.2596

>  <Cat> (344)
S4736

>  <Name> (344)
Trapidil

>  <Synonyms> (344)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (344)
PDGFR

>  <Form> (344)
Free Base

>  <CAS> (344)
15421-84-8

>  <URL> (344)
http://www.selleckchem.com/products/trapidil.html

$$$$
S4743 Wogonin.cdx
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6326    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2051    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C16H12O5

>  <MolWeight> (345)
284.26348

>  <Cat> (345)
S4743

>  <Name> (345)
Wogonin

>  <Synonyms> (345)
Vogonin

>  <Target> (345)
CDK

>  <Form> (345)
Free Base

>  <CAS> (345)
632-85-9

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

$$$$
NS-187.cdx
csChFnd80/07272117312D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C30H31F3N8O

>  <MolWeight> (346)
576.6153496

>  <Cat> (346)
S1369

>  <Name> (346)
Bafetinib (INNO-406)

>  <Synonyms> (346)
NS-187

>  <Target> (346)
Abl,Lyn

>  <Form> (346)
Free Base

>  <CAS> (346)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C37H42Cl2N2O6

>  <MolWeight> (347)
681.64518

>  <Cat> (347)
S3609

>  <Name> (347)
Berbamine (dihydrochloride)

>  <Synonyms> (347)
N/A

>  <Target> (347)
NF-¦ÊB,bcr/abl

>  <Form> (347)
dihydrochloride

>  <CAS> (347)
6078-17-7

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/07272117312D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C18H16O8

>  <MolWeight> (348)
360.31484

>  <Cat> (348)
S3612

>  <Name> (348)
Rosmarinic acid

>  <Synonyms> (348)
Rosemary acid

>  <Target> (348)
IKK ¦Â

>  <Form> (348)
free base

>  <CAS> (348)
20283-92-5

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/07272117312D

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    7.4102    3.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2414   10.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5568    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7403    3.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0646    5.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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 29 34  1  1  0  0  0
 29 35  1  0  0  0  0
 31 36  1  0  0  0  0
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 33 38  1  0  0  0  0
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M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C37H40N2O6

>  <MolWeight> (349)
608.7233

>  <Cat> (349)
S3606

>  <Name> (349)
Fangchinoline

>  <Synonyms> (349)
N/A

>  <Target> (349)
HIV-1

>  <Form> (349)
free base

>  <CAS> (349)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/07272117312D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C4H7NO2

>  <MolWeight> (350)
101.10388

>  <Cat> (350)
S3699

>  <Name> (350)
2,3-Butanedione-2-monoxime

>  <Synonyms> (350)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (350)
skeletal muscle myosin-II

>  <Form> (350)
free base

>  <CAS> (350)
57-71-6

>  <URL> (350)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/07272117312D

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   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C48H78O19

>  <MolWeight> (351)
959.12152

>  <Cat> (351)
S3616

>  <Name> (351)
Asiaticoside

>  <Synonyms> (351)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (351)
Others

>  <Form> (351)
free base

>  <CAS> (351)
16830-15-2

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

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/07272117312D

 47 53  0  0  0  0  0  0  0  0999 V2000
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    8.4870   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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 10  2  1  0  0  0  0
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 18 13  1  0  0  0  0
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 21 22  1  0  0  0  0
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 31 35  1  0  0  0  0
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 41 36  1  0  0  0  0
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 42 39  1  0  0  0  0
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 44 45  1  0  0  0  0
 23 46  1  6  0  0  0
 18 47  1  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C37H40N2O6

>  <MolWeight> (352)
608.7233

>  <Cat> (352)
S3611

>  <Name> (352)
(+)-Fangchinoline

>  <Synonyms> (352)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (352)
Others

>  <Form> (352)
free base

>  <CAS> (352)
436-77-1

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

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.0184    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4441    4.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1553    6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    6.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    6.0001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3505    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    7.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    3.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
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  3  4  1  1  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
 10 11  1  0  0  0  0
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  6 13  1  0  0  0  0
  9 13  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  2  0  0  0  0
  4 17  2  0  0  0  0
 13 18  1  6  0  0  0
  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C15H18O2

>  <MolWeight> (353)
230.30222

>  <Cat> (353)
S3615

>  <Name> (353)
Dehydrocostus Lactone

>  <Synonyms> (353)
N/A

>  <Target> (353)
 IKK¦Â

>  <Form> (353)
free base

>  <CAS> (353)
477-43-0

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

$$$$
S3610 Cordycepin.cdx
csChFnd80/07272117312D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    5.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    4.0535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0612    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    7.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4293    5.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    3.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    2.9247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8813    7.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    7.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    5.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  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  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C10H13N5O3

>  <MolWeight> (354)
251.24192

>  <Cat> (354)
S3610

>  <Name> (354)
Cordycepin

>  <Synonyms> (354)
N/A

>  <Target> (354)
Others

>  <Form> (354)
free base

>  <CAS> (354)
73-03-0

>  <URL> (354)
http://www.selleckchem.com/products/cordycepin.html

$$$$
S3626 Sesamol.cdx
csChFnd80/07272117312D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6251    0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693    2.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C7H6O3

>  <MolWeight> (355)
138.12074

>  <Cat> (355)
S3626

>  <Name> (355)
Sesamol

>  <Synonyms> (355)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (355)
Others

>  <Form> (355)
free base

>  <CAS> (355)
533-31-3

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/07272117312D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C11H8O3

>  <MolWeight> (356)
188.17942

>  <Cat> (356)
S3661

>  <Name> (356)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (356)
N/A

>  <Target> (356)
PKC

>  <Form> (356)
free base

>  <CAS> (356)
2348-82-5

>  <URL> (356)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2876    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0814    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7423    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518    0.0044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1578    2.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    4.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C16H14N2O4

>  <MolWeight> (357)
298.29336

>  <Cat> (357)
S3648

>  <Name> (357)
Amlexanox

>  <Synonyms> (357)
AA-673, CHX-3673

>  <Target> (357)
TBK1,IKK-¦Å

>  <Form> (357)
free base

>  <CAS> (357)
68302-57-8

>  <URL> (357)
http://www.selleckchem.com/products/amlexanox.html

$$$$
S3666 Ilaprazole.cdx
csChFnd80/07272117312D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.8497    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492    3.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1813    1.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1806    3.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    3.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0038    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4038    2.4240    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.1042    1.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1034    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6038    2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5034    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034    3.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7034    3.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6996    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C19H18N4O2S

>  <MolWeight> (358)
366.43682

>  <Cat> (358)
S3666

>  <Name> (358)
Ilaprazole

>  <Synonyms> (358)
IY-81149

>  <Target> (358)
Proton pump,TOPK 

>  <Form> (358)
free base

>  <CAS> (358)
172152-36-2

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

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/07272117312D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2831    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C15H14O3

>  <MolWeight> (359)
242.26986

>  <Cat> (359)
S3939

>  <Name> (359)
4'-Methoxyresveratrol

>  <Synonyms> (359)
N/A

>  <Target> (359)
Others

>  <Form> (359)
free base

>  <CAS> (359)
33626-08-3

>  <URL> (359)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/07272117312D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C16H16O4

>  <MolWeight> (360)
272.29584

>  <Cat> (360)
S3940

>  <Name> (360)
3'-Hydroxypterostilbene

>  <Synonyms> (360)
3'-HPT

>  <Target> (360)
Others

>  <Form> (360)
free base

>  <CAS> (360)
475231-21-1

>  <URL> (360)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/07272117312D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C18H22O4

>  <MolWeight> (361)
302.36488

>  <Cat> (361)
S3984

>  <Name> (361)
Nordihydroguaiaretic acid

>  <Synonyms> (361)
N/A

>  <Target> (361)
lipoxygenase

>  <Form> (361)
free base

>  <CAS> (361)
500-38-9

>  <URL> (361)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/07272117312D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C6H13NO4

>  <MolWeight> (362)
163.17172

>  <Cat> (362)
S3839

>  <Name> (362)
1-Deoxynojirimycin

>  <Synonyms> (362)
duvoglustat, moranolin

>  <Target> (362)
¦Á-glucosidase

>  <Form> (362)
free base

>  <CAS> (362)
19130-96-2

>  <URL> (362)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/07272117312D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C13H13ClN2O

>  <MolWeight> (363)
248.70812

>  <Cat> (363)
S3817

>  <Name> (363)
Harmine hydrochloride

>  <Synonyms> (363)
telepathine hydrochloride

>  <Target> (363)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (363)
hydrochloride

>  <CAS> (363)
343-27-1

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

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C19H20O5

>  <MolWeight> (364)
328.3591

>  <Cat> (364)
S3819

>  <Name> (364)
Decursinol angelate

>  <Synonyms> (364)
N/A

>  <Target> (364)
PKC

>  <Form> (364)
free base

>  <CAS> (364)
130848-06-5

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

$$$$
S3824 Quercitrin.cdx
csChFnd80/07272117312D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    6.9967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2821    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138    6.9902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7107   10.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C21H20O11

>  <MolWeight> (365)
448.3769

>  <Cat> (365)
S3824

>  <Name> (365)
Quercitrin

>  <Synonyms> (365)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (365)
Others

>  <Form> (365)
free base

>  <CAS> (365)
522-12-3

>  <URL> (365)
http://www.selleckchem.com/products/quercitrin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/07272117312D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C17H26O4

>  <MolWeight> (366)
294.38594

>  <Cat> (366)
S3836

>  <Name> (366)
6-Gingerol

>  <Synonyms> (366)
CI-1011

>  <Target> (366)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (366)
free base

>  <CAS> (366)
23513-14-6

>  <URL> (366)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/07272117312D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6155    4.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.4228    5.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    7.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    3.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  2  0  0  0  0
 21  5  1  0  0  0  0
  8  6  1  0  0  0  0
 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
  7 10  2  0  0  0  0
 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  2  0  0  0  0
 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 15 23  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C19H17NaO6S

>  <MolWeight> (367)
396.38945

>  <Cat> (367)
S3766

>  <Name> (367)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (367)
N/A

>  <Target> (367)
CYP3A4

>  <Form> (367)
sodium salt

>  <CAS> (367)
69659-80-9

>  <URL> (367)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/07272117312D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C8H8O4

>  <MolWeight> (368)
168.14672

>  <Cat> (368)
S3759

>  <Name> (368)
Norcantharidin

>  <Synonyms> (368)
Endothall anhydride

>  <Target> (368)
c-Met,EGFR

>  <Form> (368)
free base

>  <CAS> (368)
29745-04-8

>  <URL> (368)
http://www.selleckchem.com/products/norcantharidin.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/07272117312D

 55 59  0  0  0  0  0  0  0  0999 V2000
    9.7655    7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4955    6.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4383    8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3657    7.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8638    6.1068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7941    4.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7397    9.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    8.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5767    7.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5623    4.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4954    3.6771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4391   10.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    8.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3709    9.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9767    7.3129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8070    2.4312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9113    3.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7314   12.1724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5697    9.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6781    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788    1.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4070    2.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6101    2.4449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3857   13.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366   12.1269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1686    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0781    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7774    0.0403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0101    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   14.5702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6199   13.3015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6351   10.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4783    8.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1807    9.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1055   10.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804   15.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    9.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3634    7.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8912   10.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7824   12.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2912   10.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
 12  6  1  6  0  0  0
  7 10  1  0  0  0  0
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  9 14  1  0  0  0  0
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 10 16  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 19 13  1  1  0  0  0
 14 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
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 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
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 24 31  1  1  0  0  0
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 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  6  0  0  0
 27 35  1  0  0  0  0
 27 36  2  0  0  0  0
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 29 38  1  6  0  0  0
 32 39  1  0  0  0  0
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 36 43  1  0  0  0  0
 37 44  2  0  0  0  0
 37 45  1  0  0  0  0
 39 46  1  6  0  0  0
 40 47  1  0  0  0  0
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 43 48  2  0  0  0  0
 44 50  1  0  0  0  0
 45 51  2  0  0  0  0
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 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C35H46O20

>  <MolWeight> (369)
786.72774

>  <Cat> (369)
S3783

>  <Name> (369)
Echinacoside

>  <Synonyms> (369)
N/A

>  <Target> (369)
Others

>  <Form> (369)
free base

>  <CAS> (369)
82854-37-3

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

$$$$
S3784 Obacunone.cdx
csChFnd80/07272117312D

 35 40  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.1628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    3.4726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3566    3.4726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.5716    4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  5  1  1  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C26H30O7

>  <MolWeight> (370)
454.5122

>  <Cat> (370)
S3784

>  <Name> (370)
Obacunone

>  <Synonyms> (370)
N/A

>  <Target> (370)
Nrf2,Aromatase

>  <Form> (370)
free base

>  <CAS> (370)
751-03-1

>  <URL> (370)
http://www.selleckchem.com/products/obacunone.html

$$$$
S3786 Glabridin.cdx
csChFnd80/07272117312D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.8248    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6150    0.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C20H20O4

>  <MolWeight> (371)
324.3704

>  <Cat> (371)
S3786

>  <Name> (371)
Glabridin

>  <Synonyms> (371)
Q-100692, KB-289522, LS-176045

>  <Target> (371)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (371)
free base

>  <CAS> (371)
59870-68-7

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

$$$$
S3787 Picroside I.cdx
csChFnd80/07272117312D

 38 42  0  0  0  0  0  0  0  0999 V2000
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   16.7069    6.9896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5571    6.2863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.8844    8.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5571    7.6825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    5.5857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3 25  1  6  0  0  0
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  7 26  1  6  0  0  0
  8 11  1  6  0  0  0
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 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  6  0  0  0
 17 20  1  0  0  0  0
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 18 22  1  1  0  0  0
 18 20  1  0  0  0  0
 20 23  1  6  0  0  0
 21 24  1  0  0  0  0
  5 27  1  0  0  0  0
 14 28  1  6  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
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 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C24H28O11

>  <MolWeight> (372)
492.47252

>  <Cat> (372)
S3787

>  <Name> (372)
Picroside I

>  <Synonyms> (372)
6'-Cinnamoylcatalpol

>  <Target> (372)
Antifection

>  <Form> (372)
free base

>  <CAS> (372)
27409-30-9

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

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C17H14O5

>  <MolWeight> (373)
298.29006

>  <Cat> (373)
S3918

>  <Name> (373)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (373)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (373)
Others

>  <Form> (373)
free base

>  <CAS> (373)
5128-44-9

>  <URL> (373)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C48H82O18

>  <MolWeight> (374)
947.15388

>  <Cat> (374)
S3811

>  <Name> (374)
Ginsenoside Re

>  <Synonyms> (374)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (374)
Others

>  <Form> (374)
free base

>  <CAS> (374)
52286-59-6

>  <URL> (374)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/07272117312D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C10H8O4

>  <MolWeight> (375)
192.16812

>  <Cat> (375)
S3881

>  <Name> (375)
Scopoletin

>  <Synonyms> (375)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (375)
Immunology & Inflammation related

>  <Form> (375)
free base

>  <CAS> (375)
92-61-5

>  <URL> (375)
http://www.selleckchem.com/products/scopoletin.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/07272117312D

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   15.7011    9.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9756    2.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2132    4.9492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6317    7.0470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9079   12.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7459   13.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2364   10.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2474    2.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4215    4.2517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    6.3429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6298    8.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9085   13.8162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5399   14.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4317    2.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2474    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6339    4.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0266   14.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6441    2.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0507    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1841   15.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1448   15.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8692   13.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  9  1  0  0  0  0
  3 55  1  1  0  0  0
  5 10  1  0  0  0  0
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  6 56  1  6  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
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 10 14  1  0  0  0  0
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 13 18  1  0  0  0  0
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 18 25  1  1  0  0  0
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 30 25  1  1  0  0  0
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 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
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 31 38  1  0  0  0  0
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 36 44  1  6  0  0  0
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 38 39  1  0  0  0  0
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 46 52  1  0  0  0  0
 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C41H68O14

>  <MolWeight> (376)
784.97022

>  <Cat> (376)
S3901

>  <Name> (376)
Astragaloside IV

>  <Synonyms> (376)
AST-IV, AS-IV

>  <Target> (376)
Others

>  <Form> (376)
free base

>  <CAS> (376)
84687-43-4

>  <URL> (376)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/07272117312D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8789    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4354    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    5.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
  4  2  1  0  0  0  0
  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C20H24O11

>  <MolWeight> (377)
440.39796

>  <Cat> (377)
S3781

>  <Name> (377)
Ginkgolide C

>  <Synonyms> (377)
BN-52022

>  <Target> (377)
Others

>  <Form> (377)
free base

>  <CAS> (377)
15291-76-6

>  <URL> (377)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/07272117312D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C7H6O4

>  <MolWeight> (378)
154.12014

>  <Cat> (378)
S3799

>  <Name> (378)
Gentisic acid

>  <Synonyms> (378)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (378)
Immunology & Inflammation related

>  <Form> (378)
free base

>  <CAS> (378)
490-79-9

>  <URL> (378)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/07272117312D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9853    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    7.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    5.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    8.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8475    9.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6220    2.8036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6209    4.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8350    2.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8328    4.9046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0470    2.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8362    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0459    4.2055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8317    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2600    2.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2578    4.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0436    7.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    3.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9863    0.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7744    0.0000    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 37  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 22  1  6  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  1  0  0  0
 29 32  1  0  0  0  0
 29 33  1  6  0  0  0
 30 34  1  6  0  0  0
 30 32  1  0  0  0  0
 32 35  1  1  0  0  0
 33 36  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C27H34O11

>  <MolWeight> (379)
534.55226

>  <Cat> (379)
S3926

>  <Name> (379)
Forsythin

>  <Synonyms> (379)
Phillyrin

>  <Target> (379)
Others

>  <Form> (379)
free base

>  <CAS> (379)
487-41-2

>  <URL> (379)
http://www.selleckchem.com/products/forsythin.html

$$$$
LY2109761.cdx
csChFnd80/07272117312D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1029712-80-8

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>  <Mol_ID> (393)
393

>  <Formula> (393)
C28H36ClN5O3S

>  <MolWeight> (393)
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>  <Cat> (393)
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>  <Name> (393)
Ceritinib (LDK378)

>  <Synonyms> (393)
N/A

>  <Target> (393)
ALK

>  <Form> (393)
Free Base

>  <CAS> (393)
1032900-25-6

>  <URL> (393)
http://www.selleckchem.com/products/ldk378.html

$$$$
LY2835219.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (394)
394

>  <Formula> (394)
C28H36F2N8O3S

>  <MolWeight> (394)
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>  <Cat> (394)
S7158

>  <Name> (394)
abemaciclib (LY2835219)

>  <Synonyms> (394)
N/A

>  <Target> (394)
CDK

>  <Form> (394)
Mesylate

>  <CAS> (394)
1231930-82-7

>  <URL> (394)
http://www.selleckchem.com/products/ly2835219.html

$$$$
NU6027.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (395)
395

>  <Formula> (395)
C11H17N5O2

>  <MolWeight> (395)
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>  <Cat> (395)
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NU6027

>  <Synonyms> (395)
N/A

>  <Target> (395)
CDK

>  <Form> (395)
Free Base

>  <CAS> (395)
220036-08-8

>  <URL> (395)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (396)
396

>  <Formula> (396)
C18H32ClN3O8P2

>  <MolWeight> (396)
515.862502

>  <Cat> (396)
S4157

>  <Name> (396)
Chloroquine Phosphate

>  <Synonyms> (396)
N/A

>  <Target> (396)
Others

>  <Form> (396)
Diphosphate

>  <CAS> (396)
50-63-5

>  <URL> (396)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
csChFnd80/07272117312D

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http://www.selleckchem.com/products/cnx-2006.html

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GZD824 Dimesylate 

>  <Synonyms> (398)
N/A

>  <Target> (398)
Bcr-Abl

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Mesylate

>  <CAS> (398)
1421783-64-3

>  <URL> (398)
http://www.selleckchem.com/products/gzd824.html

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399

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ROCK

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>  <CAS> (399)
1342278-01-6

>  <URL> (399)
http://www.selleckchem.com/products/rki-1447.html

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ALK

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Free Base

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1356962-20-3

>  <URL> (400)
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M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C54H92O23

>  <MolWeight> (401)
1109.29448

>  <Cat> (401)
S3924

>  <Name> (401)
Ginsenoside Rb1

>  <Synonyms> (401)
Gypenoside ¢ó

>  <Target> (401)
Others

>  <Form> (401)
free base

>  <CAS> (401)
41753-43-9

>  <URL> (401)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C13H12N2O

>  <MolWeight> (402)
212.24718

>  <Cat> (402)
S3868

>  <Name> (402)
Harmine

>  <Synonyms> (402)
telepathine

>  <Target> (402)
PPAR¦Ã,MAO-A

>  <Form> (402)
free base

>  <CAS> (402)
442-51-3

>  <URL> (402)
http://www.selleckchem.com/products/harmine.html

$$$$
S3980 Pyridoxine.cdx
csChFnd80/07272117312D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C8H11NO3

>  <MolWeight> (403)
169.17784

>  <Cat> (403)
S3980

>  <Name> (403)
Pyridoxine

>  <Synonyms> (403)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (403)
Others

>  <Form> (403)
free base

>  <CAS> (403)
65-23-6

>  <URL> (403)
http://www.selleckchem.com/products/pyridoxine.html

$$$$
S4990 TBHQ.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C10H14O2

>  <MolWeight> (404)
166.21696

>  <Cat> (404)
S4990

>  <Name> (404)
TBHQ

>  <Synonyms> (404)
Tert-butylhydroquinone

>  <Target> (404)
Nrf2

>  <Form> (404)
free base

>  <CAS> (404)
1948-33-0

>  <URL> (404)
http://selleckchem.com/products/tbhq.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/07272117312D

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 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C18H16O7

>  <MolWeight> (405)
344.31544

>  <Cat> (405)
S4953

>  <Name> (405)
Usnic acid

>  <Synonyms> (405)
Usniacin

>  <Target> (405)
Others

>  <Form> (405)
free base

>  <CAS> (405)
125-46-2

>  <URL> (405)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/07272117312D

 43 47  0  0  0  0  0  0  0  0999 V2000
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   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 34 23  1  0  0  0  0
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M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C32H40O8

>  <MolWeight> (406)
552.6552

>  <Cat> (406)
S3832

>  <Name> (406)
Euphorbiasteroid

>  <Synonyms> (406)
Euphorbia factor L1

>  <Target> (406)
Others

>  <Form> (406)
free base

>  <CAS> (406)
28649-59-4

>  <URL> (406)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S4861 Oxindole.cdx
csChFnd80/07272117312D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4520    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    0.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015    1.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C8H7NO

>  <MolWeight> (407)
133.14728

>  <Cat> (407)
S4861

>  <Name> (407)
Oxindole

>  <Synonyms> (407)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (407)
Others

>  <Form> (407)
free base

>  <CAS> (407)
59-48-3

>  <URL> (407)
http://selleckchem.com/products/oxindole.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/07272117312D

 16 17  0  0  0  0  0  0  0  0999 V2000
    8.6046    2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4268    1.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6032    0.2658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2720    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    2.1008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2729    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    4.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
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 12 13  2  0  0  0  0
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 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C10H13N5O

>  <MolWeight> (408)
219.24312

>  <Cat> (408)
S4884

>  <Name> (408)
Trans-Zeatin

>  <Synonyms> (408)
(E)-Zeatin

>  <Target> (408)
Others

>  <CAS> (408)
1637-39-4

>  <URL> (408)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/07272117312D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4298    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628    2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2001    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C9H9N

>  <MolWeight> (409)
131.17446

>  <Cat> (409)
S4959

>  <Name> (409)
Skatole

>  <Synonyms> (409)
3-methylindole, Scatole

>  <Target> (409)
Anti-infection

>  <CAS> (409)
83-34-1

>  <URL> (409)
http://selleckchem.com/products/skatole.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/07272117312D

 68 74  0  0  0  0  0  0  0  0999 V2000
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    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.0285    8.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6762   11.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2000   10.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C47H80O18

>  <MolWeight> (410)
933.1273

>  <Cat> (410)
S3785

>  <Name> (410)
Notoginsenoside R1

>  <Synonyms> (410)
Sanchinoside R1

>  <Target> (410)
Others

>  <Form> (410)
free base

>  <CAS> (410)
80418-24-2

>  <URL> (410)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C15H8Br2INO2

>  <MolWeight> (411)
520.94199

>  <Cat> (411)
S2872

>  <Name> (411)
GW5074

>  <Synonyms> (411)
N/A

>  <Target> (411)
Raf

>  <Form> (411)
free base

>  <CAS> (411)
220904-83-6

>  <URL> (411)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (412)
412

>  <Formula> (412)
C29H36O15

>  <MolWeight> (412)
624.58714

>  <Cat> (412)
S2323

>  <Name> (412)
Methyl-Hesperidin

>  <Form> (412)
free base

>  <CAS> (412)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C19H19ClN6O4S3

>  <MolWeight> (413)
527.03996

>  <Cat> (413)
S1154

>  <Name> (413)
SNS-314 Mesylate

>  <Synonyms> (413)
N/A

>  <Target> (413)
Aurora Kinase

>  <Form> (413)
Mesylate

>  <CAS> (413)
1146618-41-8

>  <URL> (413)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C21H18O12

>  <MolWeight> (414)
462.36042

>  <Cat> (414)
S3810

>  <Name> (414)
Scutellarin

>  <Synonyms> (414)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (414)
Others

>  <Form> (414)
free base

>  <CAS> (414)
27740-01-8

>  <URL> (414)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C24H25ClFN5O3

>  <MolWeight> (415)
485.9384032

>  <Cat> (415)
S1019

>  <Name> (415)
CI-1033 (Canertinib)

>  <Synonyms> (415)
PD-183805 

>  <Target> (415)
EGFR, HER2

>  <Form> (415)
Free Base

>  <CAS> (415)
267243-28-7

>  <URL> (415)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C31H42N6O4

>  <MolWeight> (416)
562.70298

>  <Cat> (416)
S1043

>  <Name> (416)
Tandutinib (MLN518)

>  <Synonyms> (416)
CT53518

>  <Target> (416)
Flt

>  <Form> (416)
Free Base

>  <CAS> (416)
387867-13-2

>  <URL> (416)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (417)
417

>  <Formula> (417)
C22H24BrFN4O2

>  <MolWeight> (417)
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>  <Cat> (417)
S1046

>  <Name> (417)
Vandetanib (ZD6474)

>  <Synonyms> (417)
N/A

>  <Target> (417)
VEGFR

>  <Form> (417)
Free Base

>  <CAS> (417)
443913-73-3

>  <URL> (417)
http://www.selleckchem.com/products/Vandetanib.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (418)
418

>  <Formula> (418)
C21H46NO4P

>  <MolWeight> (418)
407.568001

>  <Cat> (418)
S3056

>  <Name> (418)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (418)
N/A

>  <Target> (418)
Akt

>  <Form> (418)
Free Base

>  <CAS> (418)
58066-85-6

>  <URL> (418)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (419)
419

>  <Formula> (419)
C17H15NO3

>  <MolWeight> (419)
281.3059

>  <Cat> (419)
S2893

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NU7026

>  <Synonyms> (419)
N/A

>  <Target> (419)
DNA-PK

>  <Form> (419)
Free Base

>  <CAS> (419)
154447-35-5

>  <URL> (419)
http://www.selleckchem.com/products/nu7026.html

$$$$
Vinpocetine.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (420)
420

>  <Formula> (420)
C22H26N2O2

>  <MolWeight> (420)
350.45404

>  <Cat> (420)
S2110

>  <Name> (420)
Vinpocetine (Cavinton)

>  <Synonyms> (420)
N/A

>  <Target> (420)
Sodium Channel

>  <Form> (420)
Free Base

>  <CAS> (420)
42971-09-5

>  <URL> (420)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (421)
421

>  <Formula> (421)
C11H6F3NO2S

>  <MolWeight> (421)
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>  <Cat> (421)
S8005

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SMI-4a

>  <Synonyms> (421)
N/A

>  <Target> (421)
Pim

>  <Form> (421)
Free Base

>  <CAS> (421)
438190-29-5

>  <URL> (421)
http://www.selleckchem.com/products/smi-4a.html

$$$$
VE-821.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C18H16N4O3S

>  <MolWeight> (422)
368.40964

>  <Cat> (422)
S8007

>  <Name> (422)
VE-821

>  <Synonyms> (422)
N/A

>  <Target> (422)
ATM/ATR

>  <Form> (422)
Free Base

>  <CAS> (422)
1232410-49-9

>  <URL> (422)
http://www.selleckchem.com/products/ve-821.html

$$$$
GSK2636771.cdx
csChFnd80/07272117312D

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  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 23  1  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C22H22F3N3O3

>  <MolWeight> (423)
433.4235896

>  <Cat> (423)
S8002

>  <Name> (423)
GSK2636771

>  <Synonyms> (423)
N/A

>  <Target> (423)
PI3K

>  <Form> (423)
Free Base

>  <CAS> (423)
1372540-25-4

>  <URL> (423)
http://www.selleckchem.com/products/gsk2636771.html

$$$$
PQ 401.cdx
csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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  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
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C18H16ClN3O2

>  <MolWeight> (424)
341.79154

>  <Cat> (424)
S8003

>  <Name> (424)
PQ 401

>  <Synonyms> (424)
N/A

>  <Target> (424)
IGF-1R

>  <Form> (424)
Free Base

>  <CAS> (424)
196868-63-0

>  <URL> (424)
http://www.selleckchem.com/products/pq-401.html

$$$$

csChFnd80/07272117312D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 10 14  1  0  0  0  0
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  9 11  1  0  0  0  0
  4  7  1  0  0  0  0
 17 18  1  0  0  0  0
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 34 35  1  0  0  0  0
 31 34  1  0  0  0  0
 36 37  1  0  0  0  0
 30 36  1  0  0  0  0
 19 23  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C24H22F3N5O5

>  <MolWeight> (425)
517.4571896

>  <Cat> (425)
S8015

>  <Name> (425)
CEP-32496

>  <Synonyms> (425)
N/A

>  <Target> (425)
Raf

>  <Form> (425)
Free Base

>  <CAS> (425)
1188910-76-0

>  <URL> (425)
http://www.selleckchem.com/products/cep-32496.html

$$$$
GW 9508.cdx
csChFnd80/07272117312D

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GPR

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885101-89-3

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http://www.selleckchem.com/products/gw9508.html

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csChFnd80/07272117312D

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427

>  <Formula> (427)
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N/A

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ALK

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Free Base

>  <CAS> (427)
1197958-12-5

>  <URL> (427)
http://www.selleckchem.com/products/ap26113.html

$$$$
AZD5363.cdx
csChFnd80/07272117312D

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428

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C21H25ClN6O2

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AZD5363

>  <Synonyms> (428)
N/A

>  <Target> (428)
Akt

>  <Form> (428)
Free Base

>  <CAS> (428)
1143532-39-1

>  <URL> (428)
http://www.selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (429)
429

>  <Formula> (429)
C16H14N2O2

>  <MolWeight> (429)
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>  <Cat> (429)
S8024

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Tyrphostin AG 1296 (AG 1296)

>  <Synonyms> (429)
N/A

>  <Target> (429)
PDGFR

>  <Form> (429)
Free Base

>  <CAS> (429)
146535-11-7

>  <URL> (429)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (430)
430

>  <Formula> (430)
C18H20N2O4S

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>  <Cat> (430)
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>  <Name> (430)
TCS 359

>  <Synonyms> (430)
N/A

>  <Target> (430)
FLT3

>  <Form> (430)
Free Base

>  <CAS> (430)
301305-73-7

>  <URL> (430)
http://www.selleckchem.com/products/tcs-359.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (431)
431

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FNa2O3P

>  <MolWeight> (431)
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>  <Name> (431)
Sodium Monofluorophosphate

>  <Synonyms> (431)
Sodium Fluorophosphate

>  <Target> (431)
Others
phosphatase

>  <Form> (431)
Disodium salt

>  <CAS> (431)
10163-15-2

>  <URL> (431)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
IPI-145.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (432)
432

>  <Formula> (432)
C22H17ClN6O

>  <MolWeight> (432)
416.86298

>  <Cat> (432)
S7028

>  <Name> (432)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (432)
N/A

>  <Target> (432)
PI3K

>  <Form> (432)
Free Base

>  <CAS> (432)
1201438-56-3

>  <URL> (432)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/07272117312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (433)
433

>  <Formula> (433)
C13H13N3OS

>  <MolWeight> (433)
259.32682

>  <Cat> (433)
S8037

>  <Name> (433)
Necrostatin-1

>  <Synonyms> (433)
N/A

>  <Target> (433)
TNF-alpha

>  <Form> (433)
Free Base

>  <CAS> (433)
4311-88-0

>  <URL> (433)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/07272117312D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C8H5NO4S

>  <MolWeight> (434)
211.1946

>  <Cat> (434)
S7024

>  <Name> (434)
Stattic

>  <Synonyms> (434)
N/A

>  <Target> (434)
STAT

>  <Form> (434)
Free Base

>  <CAS> (434)
19983-44-9

>  <URL> (434)
http://www.selleckchem.com/products/stattic.html

$$$$
GW2580.cdx
csChFnd80/07272117312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (435)
435

>  <Formula> (435)
C20H22N4O3

>  <MolWeight> (435)
366.41368

>  <Cat> (435)
S8042

>  <Name> (435)
GW2580

>  <Synonyms> (435)
N/A

>  <Target> (435)
CSF-1R

>  <Form> (435)
Free Base

>  <CAS> (435)
870483-87-7

>  <URL> (435)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C15H12O5

>  <MolWeight> (436)
272.25278

>  <Cat> (436)
S8036

>  <Name> (436)
Butein

>  <Synonyms> (436)
N/A

>  <Target> (436)
EGFR

>  <Form> (436)
Free Base

>  <CAS> (436)
487-52-5

>  <URL> (436)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/07272117312D

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437

>  <Formula> (437)
C18H16N2O2

>  <MolWeight> (437)
292.33184

>  <Cat> (437)
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>  <Name> (437)
(-)-Blebbistatin

>  <Synonyms> (437)
N/A

>  <Target> (437)
ATPase

>  <Form> (437)
Free Base

>  <CAS> (437)
856925-71-8

>  <URL> (437)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
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>  <Mol_ID> (438)
438

>  <Formula> (438)
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>  <MolWeight> (438)
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>  <Cat> (438)
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>  <Name> (438)
GDC-0349

>  <Synonyms> (438)
RG7603

>  <Target> (438)
mTOR

>  <Form> (438)
Free Base

>  <CAS> (438)
1207360-89-1

>  <URL> (438)
https://www.selleckchem.com/products/gdc-0349.html

$$$$
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csChFnd80/07272117312D

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439

>  <Formula> (439)
C30H40ClN7O3S

>  <MolWeight> (439)
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>  <Cat> (439)
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>  <Name> (439)
TAE684 (NVP-TAE684)

>  <Synonyms> (439)
N/A 

>  <Target> (439)
ALK 

>  <Form> (439)
Free Base

>  <CAS> (439)
761439-42-3

>  <URL> (439)
http://www.selleckchem.com/products/NVP-TAE684.html

$$$$
SBC-115076.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (440)
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>  <Formula> (440)
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>  <Name> (440)
SBC-115076

>  <Synonyms> (440)
N/A

>  <Target> (440)
Others

>  <Form> (440)
Free Base

>  <CAS> (440)
489415-96-5

>  <URL> (440)
http://www.selleckchem.com/products/sbc-115076.html

$$$$
SGX-523 .cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C18H13N7S

>  <MolWeight> (441)
359.40772

>  <Cat> (441)
S1112

>  <Name> (441)
SGX-523

>  <Synonyms> (441)
N/A

>  <Target> (441)
c-Met 

>  <Form> (441)
Free Base

>  <CAS> (441)
1022150-57-7

>  <URL> (441)
http://www.selleckchem.com/products/SGX-523.html

$$$$
untitled.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C21H16N6O2S2

>  <MolWeight> (442)
448.52074

>  <Cat> (442)
S1118

>  <Name> (442)
XL147 analogue

>  <Synonyms> (442)
SAR245408

>  <Target> (442)
PI3K 

>  <Form> (442)
Free Base

>  <CAS> (442)
956958-53-5

>  <URL> (442)
http://www.selleckchem.com/products/XL147.html

$$$$
s1023.cdx
csChFnd80/07272117312D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C22H24ClN3O4

>  <MolWeight> (443)
429.89666

>  <Cat> (443)
S1023

>  <Name> (443)
Erlotinib(OSI-744)

>  <Synonyms> (443)
(CP358774, NSC 718781) HCl

>  <Target> (443)
EGFR

>  <Form> (443)
Hydrochloride

>  <CAS> (443)
183319-69-9

>  <URL> (443)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C16H15BrClN5O4S

>  <MolWeight> (444)
488.7434

>  <Cat> (444)
S1205

>  <Name> (444)
PIK-75 

>  <Synonyms> (444)
N/A

>  <Target> (444)
PI3K, DNA-PK

>  <Form> (444)
Hydrochloride

>  <CAS> (444)
372196-77-5

>  <URL> (444)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C25H52NO4P

>  <MolWeight> (445)
461.658441

>  <Cat> (445)
S1037

>  <Name> (445)
Perifosine (KRX-0401)

>  <Synonyms> (445)
NSC639966

>  <Target> (445)
Akt

>  <Form> (445)
Free Base

>  <CAS> (445)
157716-52-4

>  <URL> (445)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C14H6O8

>  <MolWeight> (446)
302.19264

>  <Cat> (446)
S1327

>  <Name> (446)
Ellagic acid

>  <Synonyms> (446)
N/A

>  <Target> (446)
Topoisomerases

>  <Form> (446)
Free Base

>  <CAS> (446)
476-66-4

>  <URL> (446)
http://www.selleckchem.com/products/Ellagic-acid.html

$$$$
bms-707035.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (447)
447

>  <Formula> (447)
C18H11N3O2S

>  <MolWeight> (447)
333.36384

>  <Cat> (447)
S1360

>  <Name> (447)
GSK1059615

>  <Synonyms> (447)
N/A

>  <Target> (447)
PI3K, mTOR

>  <Form> (447)
Free Base

>  <CAS> (447)
958852-01-2

>  <URL> (447)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
LY2228820.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C26H37FN6O6S2

>  <MolWeight> (448)
612.7369832

>  <Cat> (448)
S1494

>  <Name> (448)
LY2228820

>  <Synonyms> (448)
N/A

>  <Target> (448)
p38 MAPK

>  <Form> (448)
Dimesylate

>  <CAS> (448)
862507-23-1

>  <URL> (448)
http://www.selleckchem.com/products/LY2228820.html

$$$$
CCT129202.cdx
csChFnd80/07272117312D

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N/A

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Aurora Kinase

>  <Form> (449)
Free Base

>  <CAS> (449)
942947-93-5

>  <URL> (449)
http://www.selleckchem.com/products/CCT129202.html

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450

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R935788 (Fostamatinib disodium)

>  <Synonyms> (450)
N/A 

>  <Target> (450)
Syk

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Sodium Salt

>  <CAS> (450)
1025687-58-4

>  <URL> (450)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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untitled.cdx
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N/A

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p38 MAPK 

>  <Form> (451)
Free Base

>  <CAS> (451)
745833-23-2

>  <URL> (451)
http://www.selleckchem.com/products/VX-702.html

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452

>  <Formula> (452)
C32H41N9O4

>  <MolWeight> (452)
615.72584

>  <Cat> (452)
S2628

>  <Name> (452)
PF-05212384 (PKI-587)

>  <Synonyms> (452)
N/A 

>  <Target> (452)
mTOR, PI3K

>  <Form> (452)
Free Base

>  <CAS> (452)
1197160-78-3

>  <URL> (452)
http://www.selleckchem.com/products/pki587.html

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/07272117312D

 18 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    5.3561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4047    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C6H13Cl2N7O3

>  <MolWeight> (453)
302.11852

>  <Cat> (453)
S2560

>  <Name> (453)
Amiloride hydrochloride dihydrate

>  <Synonyms> (453)
MK-870

>  <Target> (453)
Sodium Channel

>  <Form> (453)
hydrochloride & dihydrate

>  <CAS> (453)
17440-83-4

>  <URL> (453)
http://www.selleckchem.com/products/amilorida.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/07272117312D

 30 35  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9093    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9093    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 18  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C25H19NO3S

>  <MolWeight> (454)
413.48826

>  <Cat> (454)
S2638

>  <Name> (454)
NU7441(KU-57788)

>  <Synonyms> (454)
N/A 

>  <Target> (454)
DNA-PK, PI3K

>  <Form> (454)
Free Base

>  <CAS> (454)
503468-95-9 

>  <URL> (454)
http://www.selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/07272117312D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.9324    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9324    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5655    4.1976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8538    8.3645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    8.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
  4 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17  1  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 22 18  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C15H18BrN7

>  <MolWeight> (455)
376.25432

>  <Cat> (455)
S2735

>  <Name> (455)
MK-8776 (SCH 900776)

>  <Synonyms> (455)
N/A

>  <Target> (455)
CHK

>  <Form> (455)
Free Base

>  <CAS> (455)
891494-63-6

>  <URL> (455)
http://www.selleckchem.com/products/sch-900776.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/07272117312D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  3  1  0  0  0  0
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 12 13  2  0  0  0  0
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  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C23H14Na2O11

>  <MolWeight> (456)
512.3302

>  <Cat> (456)
S1911

>  <Name> (456)
Disodium Cromoglycate

>  <Synonyms> (456)
Gynazole

>  <Target> (456)
Calcium Channel

>  <Form> (456)
Disodium Salt

>  <CAS> (456)
15826-37-6

>  <URL> (456)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
CCT137690.cdx
csChFnd80/07272117312D

 36 41  0  0  0  0  0  0  0  0999 V2000
    2.2115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Free Base

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418805-02-4

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http://www.selleckchem.com/products/pyr-41.html

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1207293-36-4

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http://www.selleckchem.com/products/bi-847325.html

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>  <Mol_ID> (461)
461

>  <Formula> (461)
C31H38N8O3

>  <MolWeight> (461)
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>  <Cat> (461)
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LRRK2-IN-1

>  <Synonyms> (461)
N/A

>  <Target> (461)
LRRK2

>  <Form> (461)
Free Base

>  <CAS> (461)
1234480-84-2

>  <URL> (461)
http://www.selleckchem.com/products/lrrk2-in-1.html

$$$$
NPS-1034.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C31H23F2N5O3

>  <MolWeight> (462)
551.5428264

>  <Cat> (462)
S7669

>  <Name> (462)
NPS-1034

>  <Synonyms> (462)
N/A

>  <Target> (462)
c-Met

>  <Form> (462)
Free Base

>  <CAS> (462)
1221713-92-3

>  <URL> (462)
http://www.selleckchem.com/products/nps-1034.html

$$$$
KN-93 H3PO4.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (463)
463

>  <Formula> (463)
C26H32ClN2O8PS

>  <MolWeight> (463)
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>  <Cat> (463)
S7423

>  <Name> (463)
KN-93 Phosphate

>  <Synonyms> (463)
N/A

>  <Target> (463)
CaMK

>  <Form> (463)
Free Base

>  <CAS> (463)
1188890-41-6

>  <URL> (463)
http://www.selleckchem.com/products/kn-93-phosphate.html

$$$$
GDC0623.cdx
csChFnd80/07272117312D

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G-868

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MEK

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Free Base

>  <CAS> (464)
1168091-68-6

>  <URL> (464)
http://www.selleckchem.com/products/gdc-0623.html

$$$$
AZD8186.cdx
csChFnd80/07272117312D

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S7694

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AZD8186

>  <Synonyms> (465)
N/A

>  <Target> (465)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (465)
Free Base

>  <CAS> (465)
1627494-13-6

>  <URL> (465)
http://www.selleckchem.com/products/azd8186.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C18H23N5NaO8P

>  <MolWeight> (466)
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>  <Cat> (466)
S7858

>  <Name> (466)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (466)
dbcAMP

>  <Target> (466)
PKA

>  <Form> (466)
sodium salt

>  <CAS> (466)
16980-89-5

>  <URL> (466)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (467)
467

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C10H10BrN5NaO6P

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>  <Cat> (467)
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>  <Name> (467)
8-Bromo-cAMP

>  <Synonyms> (467)
N/A

>  <Target> (467)
PKA

>  <Form> (467)
sodium salt

>  <CAS> (467)
76939-46-3

>  <URL> (467)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
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>  <Mol_ID> (468)
468

>  <Formula> (468)
C26H22Cl2N4O3

>  <MolWeight> (468)
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>  <Cat> (468)
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BLU9931

>  <Synonyms> (468)
N/A

>  <Target> (468)
FGFR

>  <Form> (468)
Free Base

>  <CAS> (468)
1538604-68-0

>  <URL> (468)
http://www.selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (469)
469

>  <Formula> (469)
C24H30ClN7O2S

>  <MolWeight> (469)
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>  <Cat> (469)
S7846

>  <Name> (469)
TP-0903

>  <Synonyms> (469)
N/A

>  <Target> (469)
TAM Receptor

>  <Form> (469)
Free Base

>  <CAS> (469)
1341200-45-0

>  <URL> (469)
http://www.selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (470)
470

>  <Formula> (470)
C28H32O6

>  <MolWeight> (470)
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>  <Cat> (470)
S7259

>  <Name> (470)
FLLL32

>  <Synonyms> (470)
N/A

>  <Target> (470)
JAK

>  <Form> (470)
Free Base

>  <CAS> (470)
1226895-15-3

>  <URL> (470)
http://www.selleckchem.com/products/flll32.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/07272117312D

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>  <Mol_ID> (471)
471

>  <Formula> (471)
C5H6Na2O5

>  <MolWeight> (471)
192.07768

>  <Cat> (471)
S7873

>  <Name> (471)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (471)
N/A

>  <Target> (471)
Others

>  <Form> (471)
disodium salt

>  <CAS> (471)
103404-90-6

>  <URL> (471)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
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csChFnd80/07272117312D

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sodium salt

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N/A

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TAM Receptor

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hydrochloride salt

>  <CAS> (481)
1429881-91-3

>  <URL> (481)
http://www.selleckchem.com/products/unc-2025.html

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ONC201.cdx
csChFnd80/07272117312D

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N/A

>  <Target> (482)
Akt

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Free Base

>  <CAS> (482)
1616632-77-9

>  <URL> (482)
http://www.selleck.cn/products/tic-10.html

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>  <Formula> (483)
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>  <MolWeight> (483)
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>  <Cat> (483)
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>  <Synonyms> (483)
N/A

>  <Target> (483)
Akt

>  <Form> (483)
Free Base

>  <CAS> (483)
612847-09-3

>  <URL> (483)
http://www.selleck.cn/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/07272117312D

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AZD3264

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N/A

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I¦ÊB/IKK

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Free Base

>  <CAS> (486)
1609281-86-8

>  <URL> (486)
http://www.selleckchem.com/products/azd3264.html

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BAY 1895344

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N/A

>  <Target> (487)
ATR

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hydrochloride

>  <CAS> (487)
1876467-74-1(free base)

>  <URL> (487)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S5119 Olivetol.cdx
csChFnd80/07272117312D

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Olivetol

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CB1,CB2,CYP1A1,CYP2C19

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free base

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500-66-3

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   11.2823    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C17H15N9

>  <MolWeight> (490)
345.3613

>  <Cat> (490)
S7674

>  <Name> (490)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (490)
Volitinib

>  <Target> (490)
MET

>  <Form> (490)
free base

>  <CAS> (490)
1313725-88-0

>  <URL> (490)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/07272117312D

 21 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C14H27NaO5S

>  <MolWeight> (491)
330.41595

>  <Cat> (491)
S3801

>  <Name> (491)
Sodium Houttuyfonate

>  <Synonyms> (491)
N/A

>  <Target> (491)
Antifection

>  <Form> (491)
sodium salt

>  <CAS> (491)
1847-58-1

>  <URL> (491)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/07272117312D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C18H24O

>  <MolWeight> (492)
256.38256

>  <Cat> (492)
S3813

>  <Name> (492)
Bakuchiol

>  <Synonyms> (492)
(S)-(+)-Bakuchiol

>  <Target> (492)
Immunology & Inflammation related

>  <Form> (492)
free base

>  <CAS> (492)
10309-37-2

>  <URL> (492)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C15H11ClN2OS

>  <MolWeight> (493)
302.77864

>  <Cat> (493)
S7176

>  <Name> (493)
SKI II

>  <Synonyms> (493)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (493)
S1P Receptor

>  <Form> (493)
Free Base

>  <CAS> (493)
312636-16-1

>  <URL> (493)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/07272117312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C17H15BrF2N4O3

>  <MolWeight> (494)
441.2268064

>  <Cat> (494)
S7007

>  <Name> (494)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (494)
N/A

>  <Target> (494)
MEK

>  <Form> (494)
Free Base

>  <CAS> (494)
606143-89-9

>  <URL> (494)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/07272117312D

 34 38  0  0  0  0  0  0  0  0999 V2000
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495

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C25H34N8O

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462.59046

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GSK2334470

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N/A

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PDK-1

>  <Form> (495)
Free Base

>  <CAS> (495)
1227911-45-6

>  <URL> (495)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/07272117312D

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496

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C24H26N4O

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S7127

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TIC10 analogue

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TRAIL-inducing Compound 10

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Akt

>  <Form> (496)
Free Base

>  <CAS> (496)
41276-02-2

>  <URL> (496)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (497)
497

>  <Formula> (497)
C16H10BrN3O2

>  <MolWeight> (497)
356.1735

>  <Cat> (497)
S7198

>  <Name> (497)
BIO

>  <Synonyms> (497)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (497)
GSK-3

>  <Form> (497)
Free Base

>  <CAS> (497)
667463-62-9

>  <URL> (497)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (498)
498

>  <Formula> (498)
C17H13N5

>  <MolWeight> (498)
287.31862

>  <Cat> (498)
S7223

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RepSox

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E-616452, SJN 2511

>  <Target> (498)
TGF-beta/Smad

>  <Form> (498)
Free Base

>  <CAS> (498)
446859-33-2

>  <URL> (498)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/07272117312D

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499

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AZD2858

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N/A

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GSK-3

>  <Form> (499)
Free Base

>  <CAS> (499)
486424-20-8

>  <URL> (499)
http://www.selleckchem.com/products/azd2858.html

$$$$
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csChFnd80/07272117312D

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500

>  <Formula> (500)
C23H26ClNO

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>  <Cat> (500)
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>  <Name> (500)
ZM 39923 HCl

>  <Synonyms> (500)
N/A

>  <Target> (500)
JAK

>  <Form> (500)
HCl

>  <CAS> (500)
1021868-92-7

>  <URL> (500)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Ro 31-8220 mesylate.cdx
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>  <Mol_ID> (501)
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C26H27N5O5S2

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>  <Cat> (501)
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>  <Name> (501)
Ro 31-8220 Mesylate

>  <Synonyms> (501)
Bisindolylmaleimide IX Mesylate

>  <Target> (501)
PKC

>  <Form> (501)
Mesylate

>  <CAS> (501)
138489-18-6

>  <URL> (501)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
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CZC24832

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N/A

>  <Target> (502)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (502)
Free Base

>  <CAS> (502)
1159824-67-5

>  <URL> (502)
http://www.selleckchem.com/products/czc24832.html

$$$$
SRPIN340.cdx
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>  <Target> (503)
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>  <CAS> (503)
218156-96-8

>  <URL> (503)
http://www.selleckchem.com/products/srpin340.html

$$$$
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M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C23H22FN3O4S

>  <MolWeight> (504)
455.5018832

>  <Cat> (504)
S7035

>  <Name> (504)
XL388

>  <Synonyms> (504)
N/A

>  <Target> (504)
mTOR

>  <Form> (504)
Free Base

>  <CAS> (504)
1251156-08-7

>  <URL> (504)
http://www.selleckchem.com/products/xl388.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (505)
505

>  <Formula> (505)
C27H28F3N7O3

>  <MolWeight> (505)
555.5515296

>  <Cat> (505)
S7284

>  <Name> (505)
Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (505)
CNX-419, AVL-301

>  <Target> (505)
EGFR

>  <Form> (505)
Free Base

>  <CAS> (505)
1374640-70-6

>  <URL> (505)
http://www.selleckchem.com/products/co-1686.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/07272117312D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C24H27Cl2N5O

>  <MolWeight> (506)
472.41008

>  <Cat> (506)
S7306

>  <Name> (506)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (506)
BML-275,Compound C

>  <Target> (506)
AMPK

>  <Form> (506)
Dihydrochloride

>  <CAS> (506)
1219168-18-9

>  <URL> (506)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/07272117312D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C25H30N6O

>  <MolWeight> (507)
430.5453

>  <Cat> (507)
S7319

>  <Name> (507)
EHop-016

>  <Synonyms> (507)
N/A

>  <Target> (507)
Rac

>  <Form> (507)
Free Base

>  <CAS> (507)
1380432-32-5

>  <URL> (507)
http://www.selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/07272117312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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445430-58-0

>  <URL> (509)
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>  <Mol_ID> (516)
516

>  <Formula> (516)
C28H32N4O3

>  <MolWeight> (516)
472.57868

>  <Cat> (516)
S8057

>  <Name> (516)
Pacritinib (SB1518)

>  <Synonyms> (516)
N/A

>  <Target> (516)
JAK

>  <Form> (516)
Free Base

>  <CAS> (516)
937272-79-2

>  <URL> (516)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
csChFnd80/07272117312D

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517

>  <Formula> (517)
C21H16ClF3N4O3

>  <MolWeight> (517)
464.8249496

>  <Cat> (517)
S7397

>  <Name> (517)
Sorafenib

>  <Synonyms> (517)
BAY 43-9006

>  <Target> (517)
Raf

>  <Form> (517)
Free Base

>  <CAS> (517)
284461-73-0

>  <URL> (517)
http://www.selleckchem.com/products/sorafenib.html

$$$$
PF-562271.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (518)
518

>  <Formula> (518)
C21H21ClF3N7O3S

>  <MolWeight> (518)
543.9497496

>  <Cat> (518)
S7357

>  <Name> (518)
PF-562271 HCl

>  <Synonyms> (518)
N/A

>  <Target> (518)
FAK

>  <Form> (518)
Hydrochloride

>  <URL> (518)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (519)
519

>  <Formula> (519)
C13H15NO2S

>  <MolWeight> (519)
249.3287

>  <Cat> (519)
S7320

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TG003

>  <Synonyms> (519)
N/A

>  <Target> (519)
CDK

>  <Form> (519)
Free Base

>  <CAS> (519)
300801-52-9

>  <URL> (519)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
csChFnd80/07272117312D

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1214265-58-3

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147591-46-6

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

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1097917-15-1

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http://www.selleckchem.com/products/asp3026.html

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14003-96-4

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1233339-22-4

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>  <Mol_ID> (533)
533

>  <Formula> (533)
C23H30N8O

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434.5373

>  <Cat> (533)
S7440

>  <Name> (533)
Ribociclib (LEE011)

>  <Synonyms> (533)
N/A

>  <Target> (533)
CDK

>  <Form> (533)
Free Base

>  <CAS> (533)
1211441-98-3

>  <URL> (533)
http://www.selleckchem.com/products/lee011.html

$$$$
LM-3230 NH125.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C27H45IN2

>  <MolWeight> (534)
524.56407

>  <Cat> (534)
S7436

>  <Name> (534)
NH125

>  <Synonyms> (534)
N/A

>  <Target> (534)
CaMK

>  <Form> (534)
iodide

>  <CAS> (534)
278603-08-0

>  <URL> (534)
http://www.selleckchem.com/products/nh125.html

$$$$
1164470-53-4.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (535)
535

>  <Formula> (535)
C18H15Cl4N3OS

>  <MolWeight> (535)
463.2082

>  <Cat> (535)
S7437

>  <Name> (535)
Sal003

>  <Synonyms> (535)
N/A

>  <Target> (535)
phosphatase

>  <Form> (535)
Free Base

>  <CAS> (535)
1164470-53-4

>  <URL> (535)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (536)
536

>  <Formula> (536)
C25H23ClN6

>  <MolWeight> (536)
442.94332

>  <Cat> (536)
S7507

>  <Name> (536)
LDN193189 HCl

>  <Synonyms> (536)
N/A

>  <Target> (536)
TGF-beta/Smad

>  <Form> (536)
Hydrochloride

>  <CAS> (536)
1062368-62-0

>  <URL> (536)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
LM-3053 SKLB1002.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (537)
537

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C13H12N4O2S2

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Free Base

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1225451-84-2

>  <URL> (537)
http://www.selleckchem.com/products/sklb1002.html

$$$$
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676596-65-9

>  <URL> (538)
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539

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328998-25-0

>  <URL> (539)
http://www.selleckchem.com/products/4e1rcat.html

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>  <Mol_ID> (542)
542

>  <Formula> (542)
C19H17N3O3

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S7509

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ML167

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CID 44968231

>  <Target> (542)
CDK

>  <Form> (542)
Free Base

>  <CAS> (542)
1285702-20-6

>  <URL> (542)
http://www.selleckchem.com/products/ml167.html

$$$$
ML347.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (543)
543

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C22H16N4O

>  <MolWeight> (543)
352.38864

>  <Cat> (543)
S7148

>  <Name> (543)
ML347

>  <Synonyms> (543)
N/A

>  <Target> (543)
TGF-beta/Smad

>  <Form> (543)
Free Base

>  <CAS> (543)
1062368-49-3

>  <URL> (543)
http://www.selleckchem.com/products/ml347.html

$$$$
GS-9973.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (544)
544

>  <Formula> (544)
C23H21N7O

>  <MolWeight> (544)
411.45914

>  <Cat> (544)
S7523

>  <Name> (544)
Entospletinib (GS-9973)

>  <Synonyms> (544)
N/A

>  <Target> (544)
Syk

>  <Form> (544)
Free Base

>  <CAS> (544)
1229208-44-9

>  <URL> (544)
http://www.selleckchem.com/products/gs-9973.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (545)
545

>  <Formula> (545)
C17H22Cl2N2O3S

>  <MolWeight> (545)
405.33918

>  <Cat> (545)
S7333

>  <Name> (545)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (545)
N/A

>  <Target> (545)
Rho

>  <Form> (545)
Free Base

>  <CAS> (545)
No

>  <URL> (545)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
DMH1.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C20H17F3N4O3

>  <MolWeight> (551)
418.3691896

>  <Cat> (551)
S7526

>  <Name> (551)
GNF-5

>  <Synonyms> (551)
N/A

>  <Target> (551)
Bcr-Abl

>  <Form> (551)
Free Base

>  <CAS> (551)
778277-15-9

>  <URL> (551)
http://www.selleckchem.com/products/gnf-5.html

$$$$
KN-62.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C38H35N5O6S2

>  <MolWeight> (552)
721.8444

>  <Cat> (552)
S7422

>  <Name> (552)
KN-62

>  <Synonyms> (552)
N/A

>  <Target> (552)
Others

>  <Form> (552)
Free Base

>  <CAS> (552)
127191-97-3

>  <URL> (552)
http://www.selleckchem.com/products/kn-62.html

$$$$
LM-3086.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C17H12N2O

>  <MolWeight> (553)
260.28998

>  <Cat> (553)
S7289

>  <Name> (553)
PFK15

>  <Synonyms> (553)
PFK-015

>  <Target> (553)
Others

>  <Form> (553)
Free Base

>  <CAS> (553)
4382-63-2

>  <URL> (553)
http://www.selleckchem.com/products/pfk15.html

$$$$
HS-173.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C21H18N4O4S

>  <MolWeight> (554)
422.45702

>  <Cat> (554)
S7356

>  <Name> (554)
HS-173

>  <Synonyms> (554)
N/A

>  <Target> (554)
PI3K

>  <Form> (554)
Free Base

>  <CAS> (554)
1276110-06-5

>  <URL> (554)
http://www.selleckchem.com/products/hs-173.html

$$$$
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csChFnd80/07272117312D

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>  <Mol_ID> (555)
555

>  <Formula> (555)
C22H26FN3O2

>  <MolWeight> (555)
383.4591432

>  <Cat> (555)
S7215

>  <Name> (555)
Losmapimod

>  <Synonyms> (555)
GW856553X, GW856553, GSK-AHAB

>  <Target> (555)
p38 MAPK

>  <Form> (555)
Free Base

>  <CAS> (555)
585543-15-3

>  <URL> (555)
http://www.selleckchem.com/products/losmapimod.html

$$$$
UNC2881.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (556)
556

>  <Formula> (556)
C25H33N7O2

>  <MolWeight> (556)
463.57522

>  <Cat> (556)
S7325

>  <Name> (556)
UNC2881

>  <Synonyms> (556)
N/A

>  <Target> (556)
TAM Receptor

>  <Form> (556)
Free Base

>  <CAS> (556)
1493764-08-1

>  <URL> (556)
http://www.selleckchem.com/products/unc2881.html

$$$$
PF-543 .cdx
csChFnd80/07272117312D

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>  <Mol_ID> (557)
557

>  <Formula> (557)
C27H31NO4S

>  <MolWeight> (557)
465.60434

>  <Cat> (557)
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>  <Name> (557)
PF-543

>  <Synonyms> (557)
N/A

>  <Target> (557)
S1P Receptor

>  <Form> (557)
Free Base

>  <CAS> (557)
1415562-82-1

>  <URL> (557)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (558)
558

>  <Formula> (558)
C21H21N3O2S

>  <MolWeight> (558)
379.47534

>  <Cat> (558)
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>  <Name> (558)
AZD1208

>  <Synonyms> (558)
N/A

>  <Target> (558)
Pim

>  <Form> (558)
Free Base

>  <CAS> (558)
1204144-28-4

>  <URL> (558)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C26H25Cl2N3O3

>  <MolWeight> (559)
498.401

>  <Cat> (559)
S7041

>  <Name> (559)
CX-6258 HCl

>  <Synonyms> (559)
N/A

>  <Target> (559)
Pim

>  <Form> (559)
Hydrochloride

>  <CAS> (559)
1353859-00-3

>  <URL> (559)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C25H29Cl2F3N2O4S

>  <MolWeight> (560)
581.4749696

>  <Cat> (560)
S7482

>  <Name> (560)
EHT 1864 2HCl

>  <Synonyms> (560)
N/A

>  <Target> (560)
Rho

>  <Form> (560)
Dihydrochloride

>  <CAS> (560)
754240-09-0

>  <URL> (560)
http://www.selleckchem.com/products/eht-1864.html

$$$$
LDC000067.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C18H18N4O3S

>  <MolWeight> (561)
370.42552

>  <Cat> (561)
S7461

>  <Name> (561)
LDC000067

>  <Synonyms> (561)
LDC067

>  <Target> (561)
CDK

>  <Form> (561)
Free Base

>  <CAS> (561)
1073485-20-7

>  <URL> (561)
http://www.selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
csChFnd80/07272117312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (562)
562

>  <Formula> (562)
C26H30N6O3

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ERK

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Free Base

>  <CAS> (567)
865362-74-9

>  <URL> (567)
http://www.selleckchem.com/products/fr180204.html

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HO-3867.cdx
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C28H30F2N2O2

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HO-3867

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N/A

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STAT

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Free Base

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1172133-28-6

>  <URL> (568)
http://www.selleckchem.com/products/ho-3867.html

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GNE7915.cdx
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1351761-44-8

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http://www.selleckchem.com/products/gne-7915.html

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csChFnd80/07272117312D

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>  <URL> (570)
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$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C16H21ClIN3O4S

>  <MolWeight> (571)
513.77811

>  <Cat> (571)
S7332

>  <Name> (571)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (571)
N/A

>  <Target> (571)
Rho

>  <Form> (571)
Free Base

>  <CAS> (571)
1469337-91-4

>  <URL> (571)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
SH-4-54.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C29H27F5N2O5S

>  <MolWeight> (572)
610.592096

>  <Cat> (572)
S7337

>  <Name> (572)
SH-4-54

>  <Synonyms> (572)
N/A

>  <Target> (572)
STAT

>  <Form> (572)
Free Base

>  <CAS> (572)
1456632-40-8

>  <URL> (572)
http://www.selleckchem.com/products/sh-4-54.html

$$$$
Zotarolimus.cdx
csChFnd80/07272117312D

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mTOR

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Free Base

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221877-54-9

>  <URL> (573)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

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Src

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837422-57-8

>  <URL> (574)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
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csChFnd80/07272117312D

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N/A

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PTEN

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Free Base

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345630-40-2

>  <URL> (575)
http://www.selleckchem.com/products/sf1670.html

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IM-12.cdx
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576

>  <Formula> (576)
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>  <Target> (576)
GSK-3

>  <Form> (576)
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>  <CAS> (576)
1129669-05-1

>  <URL> (576)
http://www.selleckchem.com/products/im-12.html

$$$$
deltarasin.cdx
csChFnd80/07272117312D

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    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C21H23N5O3S

>  <MolWeight> (581)
425.50402

>  <Cat> (581)
S7605

>  <Name> (581)
Filgotinib£¨GLPG0643)

>  <Synonyms> (581)
N/A

>  <Target> (581)
JAK

>  <Form> (581)
Free Base

>  <CAS> (581)
1206161-97-8

>  <URL> (581)
http://www.selleckchem.com/products/filgotinib.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/07272117312D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    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    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 I   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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  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
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (582)
582

>  <Formula> (582)
C15H17ClIN3O3

>  <MolWeight> (582)
449.67125

>  <Cat> (582)
S7331

>  <Name> (582)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (582)
N/A

>  <Target> (582)
Rho

>  <Form> (582)
Free Base

>  <CAS> (582)
1469337-95-8

>  <URL> (582)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
Anacardic Acid.cdx
csChFnd80/07272117312D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (583)
583

>  <Formula> (583)
C22H36O3

>  <MolWeight> (583)
348.51944

>  <Cat> (583)
S7582

>  <Name> (583)
Anacardic Acid

>  <Synonyms> (583)
6-pentadecylsalicylic Acid

>  <Target> (583)
Histone Acetyltransferase

>  <Form> (583)
Free Base

>  <CAS> (583)
16611-84-0

>  <URL> (583)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/07272117312D

 39 43  0  0  0  0  0  0  0  0999 V2000
    9.6702    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8826    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    2.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    4.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6776    5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3075    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2216    2.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0445    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2216    5.1668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4445    4.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6542    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0236    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    3.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7371    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.8298    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.1322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    2.6395    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.5930    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9853    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2764    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0640    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  5 19  1  0  0  0  0
  4 20  1  0  0  0  0
 19 13  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 22 24  2  0  0  0  0
 21 25  2  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 11 29  1  0  0  0  0
  7 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 10 35  1  0  0  0  0
 26 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 26  2  0  0  0  0
M  END
>  <Mol_ID> (584)
584

>  <Formula> (584)
C28H21F4N5O2

>  <MolWeight> (584)
535.4922528

>  <Cat> (584)
S7519

>  <Name> (584)
GNF-5837

>  <Synonyms> (584)
N/A

>  <Target> (584)
Trk receptor

>  <Form> (584)
Free Base

>  <CAS> (584)
1033769-28-6

>  <URL> (584)
http://www.selleckchem.com/products/gnf-5837.html

$$$$
WS6 .cdx
csChFnd80/07272117312D

 41 45  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Target> (593)
PLK

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Free Base

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1062243-51-9

>  <URL> (593)
http://www.selleckchem.com/products/ro3280.html

$$$$
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594

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WS3

>  <Synonyms> (594)
N/A

>  <Target> (594)
I¦ÊB/IKK

>  <Form> (594)
Free Base

>  <CAS> (594)
1421227-52-2

>  <URL> (594)
http://www.selleckchem.com/products/ws3.html

$$$$
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595

>  <Formula> (595)
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>  <Name> (595)
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>  <Synonyms> (595)
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>  <Target> (595)
JAK

>  <Form> (595)
Hydrochloride

>  <CAS> (595)
1369761-01-2

>  <URL> (595)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
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>  <Formula> (596)
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>  <Synonyms> (596)
N/A

>  <Target> (596)
Others

>  <Form> (596)
Free Base

>  <CAS> (596)
521937-07-5

>  <URL> (596)
http://www.selleckchem.com/products/cid755673.html

$$$$
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no

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http://www.selleckchem.com/products/dtp3.html

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ML141.cdx
csChFnd80/07272117312D

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Rho

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Free Base

>  <CAS> (598)
71203-35-5

>  <URL> (598)
http://www.selleckchem.com/products/ml141.html

$$$$
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csChFnd80/07272117312D

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AXL1717

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IGF-1R

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Free Base

>  <CAS> (599)
477-47-4

>  <URL> (599)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Reversine.cdx
csChFnd80/07272117312D

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656820-32-5

>  <URL> (600)
http://www.selleckchem.com/products/reversine.html

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377090-84-1

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1056901-62-2

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http://www.selleckchem.com/products/pf-431396.html

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606

>  <Formula> (606)
C20H21F3N8O3S

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Defactinib (VS-6063, PF-04554878)

>  <Synonyms> (606)
VS-6063, PF-04554878

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FAK

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Free Base

>  <CAS> (606)
1073154-85-4

>  <URL> (606)
http://www.selleckchem.com/products/defactinib.html

$$$$
GSK2578215A.cdx
csChFnd80/07272117312D

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607

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GSK2578215A

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N/A

>  <Target> (607)
LRRK2

>  <Form> (607)
Free Base

>  <CAS> (607)
1285515-21-0

>  <URL> (607)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/07272117312D

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608

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C23H21Cl2FN4O3

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Poziotinib (HM781-36B)

>  <Synonyms> (608)
NOV120101

>  <Target> (608)
EGFR

>  <Form> (608)
Free Base

>  <CAS> (608)
1092364-38-9

>  <URL> (608)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
LY2584702.cdx
csChFnd80/07272117312D

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1082949-67-4

>  <URL> (609)
http://www.selleckchem.com/products/ly2584702.html

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PI-3065.cdx
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M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C27H31FN6OS

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506.6380432

>  <Cat> (610)
S7623

>  <Name> (610)
PI-3065

>  <Synonyms> (610)
N/A

>  <Target> (610)
PI3K

>  <Form> (610)
Free Base

>  <CAS> (610)
955977-50-1

>  <URL> (610)
http://www.selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (611)
611

>  <Formula> (611)
C24H28Cl2N2O4

>  <MolWeight> (611)
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>  <Cat> (611)
S7720

>  <Name> (611)
SBE 13 HCl

>  <Synonyms> (611)
N/A

>  <Target> (611)
PLK

>  <Form> (611)
Hydrochloride

>  <CAS> (611)
1052532-15-6

>  <URL> (611)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
csChFnd80/07272117312D

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612

>  <Formula> (612)
C9H9BrN2O3

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>  <Cat> (612)
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Bikinin

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N/A

>  <Target> (612)
GSK-3

>  <Form> (612)
Free Base

>  <CAS> (612)
188011-69-0

>  <URL> (612)
http://www.selleckchem.com/products/bikinin.html

$$$$
Salirasib.cdx
csChFnd80/07272117312D

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613

>  <Formula> (613)
C22H30O2S

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>  <Cat> (613)
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N/A

>  <Target> (613)
Rho

>  <Form> (613)
Free Base

>  <CAS> (613)
162520-00-5

>  <URL> (613)
http://www.selleckchem.com/products/salirasib.html

$$$$
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BTK

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Free Base

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no

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http://www.selleckchem.com/products/rn486.html

$$$$
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Dovitinib (TKI258) Lactate

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N/A

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FLT3

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915769-50-5

>  <URL> (619)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
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CSF-1R

>  <Form> (620)
Free Base

>  <CAS> (620)
953769-46-5

>  <URL> (620)
http://www.selleckchem.com/products/blz945.html

$$$$
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219766-25-3

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  2  3  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 25  2  0  0  0  0
 25 12  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C22H27FN4O2

>  <MolWeight> (625)
398.4737832

>  <Cat> (625)
S7781

>  <Name> (625)
Sunitinib

>  <Synonyms> (625)
SU11248

>  <Target> (625)
PDGFR

>  <Form> (625)
Free Base

>  <CAS> (625)
557795-19-4

>  <URL> (625)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/07272117312D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  3  0  0  0  0
 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C22H23N3O4

>  <MolWeight> (626)
393.43572

>  <Cat> (626)
S7786

>  <Name> (626)
Erlotinib

>  <Synonyms> (626)
CP358774, NSC 718781

>  <Target> (626)
EGFR

>  <Form> (626)
Free Base

>  <CAS> (626)
183321-74-6

>  <URL> (626)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0593    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6966    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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 11 12  1  0  0  0  0
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 13 15  3  0  0  0  0
 15 16  1  0  0  0  0
  1 17  2  0  0  0  0
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 21  1  1  0  0  0  0
 18  2  2  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C18H13BrN4O

>  <MolWeight> (627)
381.22602

>  <Cat> (627)
S7557

>  <Name> (627)
CL-387785 (EKI-785)

>  <Synonyms> (627)
N/A

>  <Target> (627)
EGFR

>  <Form> (627)
Free Base

>  <CAS> (627)
194423-06-8

>  <URL> (627)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/07272117312D

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 28 29  1  0  0  0  0
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 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C24H30ClN7O2

>  <MolWeight> (628)
483.9937

>  <Cat> (628)
S1116

>  <Name> (628)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (628)
N/A

>  <Target> (628)
CDK

>  <Form> (628)
Hydrochloride

>  <CAS> (628)
827022-32-2, 571190-30-2 (free base)

>  <URL> (628)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/07272117312D

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>  <Formula> (629)
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>  <MolWeight> (629)
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>  <Cat> (629)
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>  <Synonyms> (629)
N/A

>  <Target> (629)
CDK

>  <Form> (629)
Isethionate

>  <CAS> (629)
827022-33-3, 571190-30-2(free base)

>  <URL> (629)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/07272117312D

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630

>  <Formula> (630)
C15H11NO3S2

>  <MolWeight> (630)
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STF-083010

>  <Synonyms> (630)
N/A

>  <Target> (630)
Others

>  <Form> (630)
Free Base

>  <CAS> (630)
307543-71-1

>  <URL> (630)
http://www.selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
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631

>  <Formula> (631)
C29H28ClN7OS

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>  <Cat> (631)
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>  <Synonyms> (631)
N/A

>  <Target> (631)
PAK

>  <Form> (631)
Free Base

>  <CAS> (631)
1286739-19-2

>  <URL> (631)
http://www.selleckchem.com/products/frax597.html

$$$$
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csChFnd80/07272117312D

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>  <Mol_ID> (632)
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>  <Formula> (632)
C18H13N3OS2

>  <MolWeight> (632)
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>  <Cat> (632)
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Ro-3306

>  <Synonyms> (632)
N/A

>  <Target> (632)
CDK

>  <Form> (632)
Free Base

>  <CAS> (632)
872573-93-8

>  <URL> (632)
http://www.selleckchem.com/products/ro-3306.html

$$$$
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EGFR

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Dimaleate

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850140-73-7

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http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

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LY2409881

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N/A

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I¦ÊB/IKK

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Trihydrochloride

>  <CAS> (634)
946518-60-1

>  <URL> (634)
http://www.selleckchem.com/products/ly2409881.html

$$$$
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N/A

>  <Target> (635)
Akt

>  <Form> (635)
Free Base

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1047644-62-1

>  <URL> (635)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
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PI3K

>  <Form> (636)
Free Base

>  <CAS> (636)
1394076-92-6

>  <URL> (636)
http://www.selleckchem.com/products/gne-317.html

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   14.5492    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C25H29N3O3

>  <MolWeight> (637)
419.51606

>  <Cat> (637)
S7627

>  <Name> (637)
LDN-214117

>  <Synonyms> (637)
N/A

>  <Target> (637)
TGF-beta/Smad

>  <Form> (637)
Free Base

>  <CAS> (637)
1627503-67-6

>  <URL> (637)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Purvalanol A.cdx
csChFnd80/07272117312D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  6  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C19H25ClN6O

>  <MolWeight> (638)
388.8944

>  <Cat> (638)
S7793

>  <Name> (638)
Purvalanol A

>  <Synonyms> (638)
N/A

>  <Target> (638)
CDK

>  <Form> (638)
Free Base

>  <CAS> (638)
212844-53-6

>  <URL> (638)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
AZD2932.cdx
csChFnd80/07272117312D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    4.6166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.8290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1573    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9964    4.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7175    7.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 21 16  1  0  0  0  0
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 30 26  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C24H25N5O4

>  <MolWeight> (639)
447.4864

>  <Cat> (639)
S7003

>  <Name> (639)
AZD2932

>  <Synonyms> (639)
N/A

>  <Target> (639)
PDGFR

>  <Form> (639)
Free Base

>  <CAS> (639)
883986-34-3

>  <URL> (639)
http://www.selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/07272117312D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.6458    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0726    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2851    2.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4235    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8318    5.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
 10  9  1  6  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 11 15  1  6  0  0  0
 12 19  1  1  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C14H19NO4

>  <MolWeight> (640)
265.30496

>  <Cat> (640)
S7409

>  <Name> (640)
Anisomycin

>  <Synonyms> (640)
Flagecidin 

>  <Target> (640)
JNK

>  <Form> (640)
Free Base

>  <CAS> (640)
22862-76-6

>  <URL> (640)
http://www.selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/07272117312D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0392    4.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0529    2.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8399    2.1298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    4.2221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    4.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2611    2.1484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4724    4.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    4.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8819    4.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8839    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0901    4.9759    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0  0  0  0
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  7  8  1  0  0  0  0
 17 18  1  0  0  0  0
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  4 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (641)
641

>  <Formula> (641)
C17H21N7O4

>  <MolWeight> (641)
387.39314

>  <Cat> (641)
S7811

>  <Name> (641)
MHY1485

>  <Synonyms> (641)
N/A

>  <Target> (641)
mTOR

>  <Form> (641)
Free Base

>  <CAS> (641)
326914-06-1

>  <URL> (641)
http://www.selleckchem.com/products/mhy1485.html

$$$$
ERK5-IN-1.cdx
csChFnd80/07272117312D

 47 53  0  0  0  0  0  0  0  0999 V2000
    6.0453   12.5830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   11.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (645)
645

>  <Formula> (645)
C25H25ClN6O4S

>  <MolWeight> (645)
541.0218

>  <Cat> (645)
S7645

>  <Name> (645)
Pilaralisib (XL147)

>  <Synonyms> (645)
N/A

>  <Target> (645)
PI3K

>  <Form> (645)
Free Base

>  <CAS> (645)
934526-89-3

>  <URL> (645)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
AT7519 HCl.cdx
csChFnd80/07272117312D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (646)
646

>  <Formula> (646)
C16H18Cl3N5O2

>  <MolWeight> (646)
418.70542

>  <Cat> (646)
S7808

>  <Name> (646)
AT7519 HCl

>  <Synonyms> (646)
N/A

>  <Target> (646)
CDK

>  <Form> (646)
Hydrochloride

>  <CAS> (646)
902135-91-5

>  <URL> (646)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C31H33FN6O3

>  <MolWeight> (647)
556.6305232

>  <Cat> (647)
S7799

>  <Name> (647)
Pexmetinib (ARRY-614)

>  <Synonyms> (647)
N/A

>  <Target> (647)
p38 MAPK

>  <Form> (647)
Free Base

>  <CAS> (647)
945614-12-0

>  <URL> (647)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C23H29FN6O

>  <MolWeight> (648)
424.5143632

>  <Cat> (648)
S7842

>  <Name> (648)
LY3009120

>  <Synonyms> (648)
N/A

>  <Target> (648)
Raf

>  <Form> (648)
Free Base

>  <CAS> (648)
1454682-72-4

>  <URL> (648)
http://www.selleckchem.com/products/ly3009120.html

$$$$
HTH-01-015.cdx
csChFnd80/07272117312D

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>  <Formula> (649)
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>  <MolWeight> (649)
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N/A

>  <Target> (649)
AMPK

>  <Form> (649)
Free Base

>  <CAS> (649)
1613724-42-7

>  <URL> (649)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (650)
650

>  <Formula> (650)
C20H15ClF3N5

>  <MolWeight> (650)
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>  <Cat> (650)
S7818

>  <Name> (650)
Pexidartinib (PLX3397)

>  <Synonyms> (650)
N/A

>  <Target> (650)
CSF-1R

>  <Form> (650)
Free Base

>  <CAS> (650)
1029044-16-3

>  <URL> (650)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (651)
651

>  <Formula> (651)
C21H21F3IN3O2

>  <MolWeight> (651)
531.3100196

>  <Cat> (651)
S8041

>  <Name> (651)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (651)
XL518

>  <Target> (651)
MEK

>  <Form> (651)
Free Base

>  <CAS> (651)
934660-93-2

>  <URL> (651)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C21H22Cl2N4O2

>  <MolWeight> (652)
433.33098

>  <Cat> (652)
S7854

>  <Name> (652)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (652)
N/A

>  <Target> (652)
ERK

>  <Form> (652)
Free Base

>  <CAS> (652)
869886-67-9

>  <URL> (652)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/07272117312D

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>  <Formula> (653)
C24H25N5O

>  <MolWeight> (653)
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Dorsomorphin (Compound C)

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>  <Target> (653)
AMPK

>  <Form> (653)
Free Base

>  <CAS> (653)
866405-64-3

>  <URL> (653)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

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>  <Mol_ID> (654)
654

>  <Formula> (654)
C26H28N4O3

>  <MolWeight> (654)
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>  <Cat> (654)
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DEL-22379

>  <Synonyms> (654)
N/A

>  <Target> (654)
ERK

>  <Form> (654)
Free Base

>  <CAS> (654)
181223-80-3

>  <URL> (654)
http://www.selleckchem.com/products/del-22379.html

$$$$
ASP015K.cdx
csChFnd80/07272117312D

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655

>  <Formula> (655)
C18H22N4O2

>  <MolWeight> (655)
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>  <Cat> (655)
S7650

>  <Name> (655)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (655)
N/A

>  <Target> (655)
JAK

>  <Form> (655)
Free Base

>  <CAS> (655)
944118-01-8

>  <URL> (655)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/07272117312D

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656

>  <Formula> (656)
C31H34F2N6O2

>  <MolWeight> (656)
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>  <Cat> (656)
S7998

>  <Name> (656)
Entrectinib (RXDX-101)

>  <Synonyms> (656)
NMS-E628

>  <Target> (656)
Trk receptor

>  <Form> (656)
Free Base

>  <CAS> (656)
1108743-60-7

>  <URL> (656)
http://www.selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
CH5126766 (RO5126766).cdx
csChFnd80/07272117312D

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FGFR

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Free Base

>  <CAS> (661)
1633044-56-0

>  <URL> (661)
http://www.selleckchem.com/products/fiin-2.html

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662

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N/A

>  <Target> (662)
JAK

>  <Form> (662)
Free Base

>  <CAS> (662)
944842-54-0

>  <URL> (662)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
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ERK

>  <Form> (663)
Free Base

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896720-20-0

>  <URL> (663)
http://www.selleckchem.com/products/vx-11e.html

$$$$
AZD3759.cdx
csChFnd80/07272117312D

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1626387-80-1

>  <URL> (664)
http://www.selleckchem.com/products/azd3759.html

$$$$
Voxtalisib (XL765, SAR245409).cdx
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934493-76-2

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http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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csChFnd80/07272117312D

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I¦ÊB/IKK

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>  <CAS> (666)
431898-65-6

>  <URL> (666)
http://www.selleckchem.com/products/ps-1145.html

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csChFnd80/07272117312D

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667

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LJI308

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N/A

>  <Target> (667)
S6 Kinase

>  <Form> (667)
Free Base

>  <CAS> (667)
1627709-94-7

>  <URL> (667)
http://www.selleckchem.com/products/lji308.html

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csChFnd80/07272117312D

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Bcr-Abl

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Free Base

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926037-48-1

>  <URL> (668)
http://www.selleckchem.com/products/radotinib.html

$$$$
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csChFnd80/07272117312D

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N/A

>  <Target> (669)
ROCK

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Hydrochloride dihydrate

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887375-67-9

>  <URL> (669)
http://www.selleckchem.com/products/ripasudil-k-115.html

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CDK

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853299-07-7

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839706-07-9

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http://www.selleckchem.com/products/gnf-7.html

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>  <URL> (672)
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  1 20  1  0  0  0  0
M  END
>  <Mol_ID> (678)
678

>  <Formula> (678)
C16H11BrN2O

>  <MolWeight> (678)
327.17534

>  <Cat> (678)
S7917

>  <Name> (678)
Kenpaullone

>  <Synonyms> (678)
N/A

>  <Target> (678)
CDK

>  <Form> (678)
Free Base

>  <CAS> (678)
142273-20-9

>  <URL> (678)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/07272117312D

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 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C19H27N5O6S

>  <MolWeight> (679)
453.51258

>  <Cat> (679)
S8195

>  <Name> (679)
Oclacitinib maleate

>  <Synonyms> (679)
PF-03394197

>  <Target> (679)
JAK

>  <Form> (679)
Free Base

>  <CAS> (679)
1640292-55-2

>  <URL> (679)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/07272117312D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    8.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C17H12Cl2F3N7O2S

>  <MolWeight> (680)
506.2890896

>  <Cat> (680)
S7121

>  <Name> (680)
MLN2480

>  <Synonyms> (680)
BIIB-024

>  <Target> (680)
Raf

>  <Form> (680)
Free Base

>  <CAS> (680)
1096708-71-2

>  <URL> (680)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/07272117312D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C26H23N7O2

>  <MolWeight> (681)
465.50652

>  <Cat> (681)
S8116

>  <Name> (681)
Acalabrutinib (ACP-196)

>  <Synonyms> (681)
N/A

>  <Target> (681)
BTK

>  <Form> (681)
Free Base

>  <CAS> (681)
1420477-60-6

>  <URL> (681)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
PIK-III.cdx
csChFnd80/07272117312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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686

>  <Formula> (686)
C27H25F3N8O2

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550.5350096

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S7752

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Pluripotin (SC1)

>  <Synonyms> (686)
N/A

>  <Target> (686)
ERK

>  <Form> (686)
Free Base

>  <CAS> (686)
839707-37-8

>  <URL> (686)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$

csChFnd80/07272117312D

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687

>  <Formula> (687)
C22H20N4O

>  <MolWeight> (687)
356.4204

>  <Cat> (687)
S1058

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BI-1347

>  <Synonyms> (687)
N/A

>  <Target> (687)
CDK

>  <Form> (687)
Free Base

>  <CAS> (687)
2163056-91-3

>  <URL> (687)
http://www.selleck.cn/products/bi-1347.html

$$$$
PLX7904.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (688)
688

>  <Formula> (688)
C24H22F2N6O3S

>  <MolWeight> (688)
512.5316864

>  <Cat> (688)
S7964

>  <Name> (688)
PLX7904

>  <Synonyms> (688)
PB04

>  <Target> (688)
Raf

>  <Form> (688)
Free Base

>  <CAS> (688)
1393465-84-3

>  <URL> (688)
http://www.selleckchem.com/products/plx7904.html

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (689)
689

>  <Formula> (689)
C42H88N14O36S3

>  <MolWeight> (689)
1461.41532

>  <Cat> (689)
S4523

>  <Name> (689)
Dihydrostreptomycin sulfate

>  <Synonyms> (689)
N/A

>  <Target> (689)
Antifection

>  <Form> (689)
1.5Sulfate

>  <CAS> (689)
5490-27-7

>  <URL> (689)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

$$$$
MRT68921.cdx
csChFnd80/07272117312D

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A   35
xHCl
M  END
>  <Mol_ID> (690)
690

>  <Formula> (690)
C26H36N6O2R

>  <MolWeight> (690)
464.60304

>  <Cat> (690)
S7948

>  <Name> (690)
MRT67307 HCl

>  <Synonyms> (690)
N/A

>  <Target> (690)
I¦ÊB/IKK

>  <Form> (690)
hydrochloride

>  <CAS> (690)
1190378-57-4 (free-base)

>  <URL> (690)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/07272117312D

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A   33
XHCl
M  END
>  <Mol_ID> (691)
691

>  <Formula> (691)
C25H34N6OR

>  <MolWeight> (691)
434.57706

>  <Cat> (691)
S7949

>  <Name> (691)
MRT68921 HCl

>  <Synonyms> (691)
N/A

>  <Target> (691)
Autophagy

>  <Form> (691)
hydrochloride

>  <CAS> (691)
1190379-70-4 (free base)

>  <URL> (691)
http://www.selleckchem.com/products/mrt68921.html

$$$$
BI-78D3.cdx
csChFnd80/07272117312D

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M  END
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697

>  <Formula> (697)
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NQDI-1

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N/A

>  <Target> (697)
Caspase

>  <Form> (697)
Free Base

>  <CAS> (697)
175026-96-7

>  <URL> (697)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (698)
698

>  <Formula> (698)
C15H11ClF3N5O4S

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>  <Name> (698)
Kobe0065

>  <Synonyms> (698)
N/A

>  <Target> (698)
Rho

>  <Form> (698)
Free Base

>  <CAS> (698)
436133-68-5

>  <URL> (698)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (699)
699

>  <Formula> (699)
C26H26N6O2S

>  <MolWeight> (699)
486.58864

>  <Cat> (699)
S8294

>  <Name> (699)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (699)
BI 1482694, HM61713, HM71224

>  <Target> (699)
EGFR

>  <Form> (699)
Free Base

>  <CAS> (699)
1353550-13-6

>  <URL> (699)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
5-Iodotubercidin.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C11H13IN4O4

>  <MolWeight> (700)
392.14979

>  <Cat> (700)
S8314

>  <Name> (700)
5-Iodotubercidin

>  <Synonyms> (700)
NSC 113939, 5-ITu

>  <Target> (700)
Adenosine Receptor

>  <Form> (700)
Free Base

>  <CAS> (700)
24386-93-4

>  <URL> (700)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/07272117312D

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   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
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M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C29H50O2

>  <MolWeight> (701)
430.7061

>  <Cat> (701)
S4686

>  <Name> (701)
Vitamin E

>  <Synonyms> (701)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (701)
COX,VEGFR

>  <Form> (701)
Free Base

>  <CAS> (701)
21590

>  <URL> (701)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
S4671 Cefradine.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C16H19N3O4S

>  <MolWeight> (702)
349.40476

>  <Cat> (702)
S4671

>  <Name> (702)
Cefradine

>  <Synonyms> (702)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (702)
Antifection

>  <Form> (702)
Free Base

>  <CAS> (702)
38821-53-3

>  <URL> (702)
http://www.selleckchem.com/products/cefradine.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/07272117312D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C15H10O4

>  <MolWeight> (703)
254.2375

>  <Cat> (703)
S8319

>  <Name> (703)
7,8-Dihydroxyflavone

>  <Synonyms> (703)
7,8-DHF

>  <Target> (703)
Trk receptor

>  <Form> (703)
Free Base

>  <CAS> (703)
38183-03-8

>  <URL> (703)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/07272117312D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C11H10N2O2

>  <MolWeight> (704)
202.2093

>  <Cat> (704)
S8321

>  <Name> (704)
MLR-1023

>  <Synonyms> (704)
Tolimidone, CP-26154

>  <Target> (704)
Others

>  <Form> (704)
Free Base

>  <CAS> (704)
41964-07-2

>  <URL> (704)
http://www.selleckchem.com/products/mlr-1023.html

$$$$
LY3023414.cdx
csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (705)
705

>  <Formula> (705)
C23H26N4O3

>  <MolWeight> (705)
406.47754

>  <Cat> (705)
S8322

>  <Name> (705)
LY3023414

>  <Synonyms> (705)
GTPL8918

>  <Target> (705)
Akt

>  <Form> (705)
Free Base

>  <CAS> (705)
1386874-06-1

>  <URL> (705)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C24H24FN7O

>  <MolWeight> (706)
445.4920632

>  <Cat> (706)
S8292

>  <Name> (706)
Selonsertib (GS-4997)

>  <Synonyms> (706)
N/A

>  <Target> (706)
Caspase

>  <Form> (706)
Free Base

>  <CAS> (706)
1448428-04-3

>  <URL> (706)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
LY333531.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C28H29ClN4O3

>  <MolWeight> (707)
505.00786

>  <Cat> (707)
S7663

>  <Name> (707)
LY333531 HCl

>  <Synonyms> (707)
Ruboxistaurin

>  <Target> (707)
PKC

>  <Form> (707)
hydrochloride

>  <CAS> (707)
169939-93-9

>  <URL> (707)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C25H23Cl2FN6O

>  <MolWeight> (708)
513.3941232

>  <Cat> (708)
S7807

>  <Name> (708)
FRAX486

>  <Synonyms> (708)
N/A

>  <Target> (708)
PAK

>  <Form> (708)
Free Base

>  <CAS> (708)
1232030-35-1

>  <URL> (708)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C12H15N2O11V

>  <MolWeight> (709)
414.1958

>  <Cat> (709)
S8174

>  <Name> (709)
VO-Ohpic trihydrate

>  <Synonyms> (709)
N/A

>  <Target> (709)
Others

>  <Form> (709)
trihydrate

>  <CAS> (709)
476310-60-8

>  <URL> (709)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (710)
710

>  <Formula> (710)
C19H14FN3O3S

>  <MolWeight> (710)
383.3961632

>  <Cat> (710)
S8242

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EAI045

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N/A

>  <Target> (710)
EGFR

>  <Form> (710)
Free Base

>  <CAS> (710)
1942114-09-1

>  <URL> (710)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C16H16O5

>  <MolWeight> (711)
288.29524

>  <Cat> (711)
S8279

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Shikonin

>  <Synonyms> (711)
N/A

>  <Target> (711)
Others

>  <Form> (711)
Free Base

>  <CAS> (711)
517-89-5

>  <URL> (711)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (712)
712

>  <Formula> (712)
C22H31N9O3

>  <MolWeight> (712)
469.54004

>  <Cat> (712)
S7966

>  <Name> (712)
AZD8835

>  <Synonyms> (712)
N/A

>  <Target> (712)
PI3K

>  <Form> (712)
Free Base

>  <CAS> (712)
1620576-64-8

>  <URL> (712)
http://www.selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (713)
713

>  <Formula> (713)
C18H15N5O6S2

>  <MolWeight> (713)
461.4716

>  <Cat> (713)
S8251

>  <Name> (713)
Necrosulfonamide

>  <Synonyms> (713)
N/A

>  <Target> (713)
Others

>  <Form> (713)
Free Base

>  <CAS> (713)
1360614-48-7

>  <URL> (713)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
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csChFnd80/07272117312D

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M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C20H20Cl2N6O3

>  <MolWeight> (714)
463.3172

>  <Cat> (714)
S7006

>  <Name> (714)
BAY-61-3606

>  <Synonyms> (714)
N/A

>  <Target> (714)
Syk

>  <Form> (714)
dihydrochloride

>  <CAS> (714)
648903-57-5

>  <URL> (714)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
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>  <Mol_ID> (715)
715

>  <Formula> (715)
C21H24F3N7O2

>  <MolWeight> (715)
463.4561696

>  <Cat> (715)
S8358

>  <Name> (715)
WNK463

>  <Synonyms> (715)
N/A

>  <Target> (715)
Others

>  <Form> (715)
Free Base

>  <CAS> (715)
2012607-27-9

>  <URL> (715)
http://www.selleckchem.com/products/wnk463.html

$$$$
LOXO-101.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (716)
716

>  <Formula> (716)
C21H24F2N6O6S

>  <MolWeight> (716)
526.5136664

>  <Cat> (716)
S7960

>  <Name> (716)
LOXO-101(sulfate)

>  <Synonyms> (716)
N/A

>  <Target> (716)
Trk receptor

>  <Form> (716)
sulfate

>  <CAS> (716)
1223405-08-0

>  <URL> (716)
http://www.selleckchem.com/products/loxo-101.html

$$$$
APS-2-79.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (717)
717

>  <Formula> (717)
C23H22ClN3O3

>  <MolWeight> (717)
423.89208

>  <Cat> (717)
S8355

>  <Name> (717)
APS-2-79 HCl

>  <Synonyms> (717)
N/A

>  <Target> (717)
MEK

>  <Form> (717)
hydrochloride

>  <CAS> (717)
2002381-31-7

>  <URL> (717)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
NSC228155.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (718)
718

>  <Formula> (718)
C11H6N4O4S

>  <MolWeight> (718)
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>  <Cat> (718)
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NSC228155

>  <Synonyms> (718)
N/A

>  <Target> (718)
EGFR

>  <Form> (718)
Free Base

>  <CAS> (718)
113104-25-9

>  <URL> (718)
http://www.selleckchem.com/products/nsc228155.html

$$$$
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>  <Mol_ID> (719)
719

>  <Formula> (719)
C23H28N8O

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432.52142

>  <Cat> (719)
S7144

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BMS-911543

>  <Synonyms> (719)
N/A

>  <Target> (719)
JAK

>  <Form> (719)
Free Base

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1271022-90-2

>  <URL> (719)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (720)
720

>  <Formula> (720)
C23H22O6

>  <MolWeight> (720)
394.41718

>  <Cat> (720)
S8132

>  <Name> (720)
Deguelin

>  <Synonyms> (720)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (720)
Akt

>  <Form> (720)
Free Base

>  <CAS> (720)
522-17-8

>  <URL> (720)
http://www.selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (721)
721

>  <Formula> (721)
C22H15F3N4O2

>  <MolWeight> (721)
424.3753096

>  <Cat> (721)
S8189

>  <Name> (721)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (721)
N/A

>  <Target> (721)
VEGFR

>  <Form> (721)
Free Base

>  <CAS> (721)
861875-60-7

>  <URL> (721)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (722)
722

>  <Formula> (722)
C19H20F2N4O4

>  <MolWeight> (722)
406.3833064

>  <Cat> (722)
S8125

>  <Name> (722)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (722)
N/A

>  <Target> (722)
p38 MAPK

>  <Form> (722)
Free Base

>  <CAS> (722)
449811-01-2

>  <URL> (722)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
Alantolactone.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (723)
723

>  <Formula> (723)
C15H20O2

>  <MolWeight> (723)
232.3181

>  <Cat> (723)
S8318

>  <Name> (723)
Alantolactone

>  <Synonyms> (723)
helenin, helenine, Eupatal

>  <Target> (723)
Others

>  <Form> (723)
Free Base

>  <CAS> (723)
546-43-0

>  <URL> (723)
http://www.selleckchem.com/products/alantolactone.html

$$$$
OICR-9429.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C29H32F3N5O3

>  <MolWeight> (724)
555.5912896

>  <Cat> (724)
S7833

>  <Name> (724)
OICR-9429

>  <Synonyms> (724)
N/A

>  <Target> (724)
Histone Methyltransferase

>  <Form> (724)
Free Base

>  <CAS> (724)
1801787-56-3

>  <URL> (724)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (725)
725

>  <Formula> (725)
C23H16F3N3O3

>  <MolWeight> (725)
439.3866496

>  <Cat> (725)
S8188

>  <Name> (725)
BFH772

>  <Synonyms> (725)
BFH 772, BFH-772

>  <Target> (725)
VEGFR

>  <Form> (725)
Free Base

>  <CAS> (725)
890128-81-1

>  <URL> (725)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (726)
726

>  <Formula> (726)
C29H31ClN8O5

>  <MolWeight> (726)
607.06004

>  <Cat> (726)
S7687

>  <Name> (726)
GSK269962 HCl

>  <Synonyms> (726)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (726)
ROCK

>  <Form> (726)
hydrochloride

>  <CAS> (726)
850664-21-0(free base)

>  <URL> (726)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C16H14BrNO5S

>  <MolWeight> (727)
412.25506

>  <Cat> (727)
S8228

>  <Name> (727)
NT157

>  <Synonyms> (727)
N/A

>  <Target> (727)
IGF-1R

>  <Form> (727)
Free Base

>  <CAS> (727)
1384426-12-3

>  <URL> (727)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (728)
728

>  <Formula> (728)
C18H25N7O

>  <MolWeight> (728)
355.4374

>  <Cat> (728)
S7286

>  <Name> (728)
RO9021

>  <Synonyms> (728)
N/A

>  <Target> (728)
Syk

>  <Form> (728)
Free Base

>  <CAS> (728)
1446790-62-0

>  <URL> (728)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (729)
729

>  <Formula> (729)
C26H24N8O2

>  <MolWeight> (729)
480.52116

>  <Cat> (729)
S8362

>  <Name> (729)
ARRY-380 (ONT-380)

>  <Synonyms> (729)
Tucatinib

>  <Target> (729)
HER2

>  <Form> (729)
Free Base

>  <CAS> (729)
937263-43-9

>  <URL> (729)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/07272117312D

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1382979-44-3

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http://www.selleckchem.com/products/gdc-0084.html

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>  <URL> (732)
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 30  8  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C23H24N6O2

>  <MolWeight> (735)
416.47566

>  <Cat> (735)
S8273

>  <Name> (735)
XMD16-5

>  <Synonyms> (735)
N/A

>  <Target> (735)
ACK

>  <Form> (735)
Free Base

>  <CAS> (735)
1345098-78-3

>  <URL> (735)
http://www.selleckchem.com/products/xmd16-5.html

$$$$
XMD8-87.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C24H27N7O2

>  <MolWeight> (736)
445.51688

>  <Cat> (736)
S8272

>  <Name> (736)
XMD8-87

>  <Synonyms> (736)
N/A

>  <Target> (736)
ACK

>  <Form> (736)
Free Base

>  <CAS> (736)
1234480-46-6

>  <URL> (736)
http://www.selleckchem.com/products/xmd8-87.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/07272117312D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C25H30N6O2

>  <MolWeight> (737)
446.5447

>  <Cat> (737)
S8401

>  <Name> (737)
JNJ-42756493 (Erdafitinib)

>  <Synonyms> (737)
N/A

>  <Target> (737)
FGFR

>  <Form> (737)
Free Base

>  <CAS> (737)
1346242-81-6

>  <URL> (737)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
Y-39983 HCl.cdx
csChFnd80/07272117312D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C16H18Cl2N4O

>  <MolWeight> (738)
353.24632

>  <Cat> (738)
S7935

>  <Name> (738)
Y-39983 HCl

>  <Synonyms> (738)
Y-33075 HCl

>  <Target> (738)
ROCK

>  <Form> (738)
dihydrochloride

>  <CAS> (738)
173897-44-4

>  <URL> (738)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C21H20N2O3S

>  <MolWeight> (739)
380.4601

>  <Cat> (739)
S8448

>  <Name> (739)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (739)
N/A

>  <Target> (739)
ROCK

>  <Form> (739)
Free Base

>  <CAS> (739)
557782-81-7

>  <URL> (739)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C19H10N2O3

>  <MolWeight> (740)
314.2943

>  <Cat> (740)
S8274

>  <Name> (740)
STO-609

>  <Synonyms> (740)
N/A

>  <Target> (740)
CaMK

>  <Form> (740)
Free Base

>  <CAS> (740)
52029-86-4

>  <URL> (740)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (741)
741

>  <Formula> (741)
C24H34F6O3

>  <MolWeight> (741)
484.5153792

>  <Cat> (741)
S7940

>  <Name> (741)
NSC12

>  <Synonyms> (741)
NSC 172285

>  <Target> (741)
FGFR

>  <Form> (741)
Free Base

>  <CAS> (741)
102586-30-1

>  <URL> (741)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (742)
742

>  <Formula> (742)
C31H30Cl3N7O2

>  <MolWeight> (742)
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>  <Cat> (742)
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>  <Name> (742)
THZ1 2HCl

>  <Synonyms> (742)
N/A

>  <Target> (742)
CDK

>  <Form> (742)
dihydrochloride

>  <CAS> (742)
1604810-83-4(free base)

>  <URL> (742)
http://www.selleckchem.com/products/thz1.html

$$$$
GSK2269557.cdx
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743

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C26H28N6O

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GSK2269557

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Nemiralisib

>  <Target> (743)
PI3K

>  <Form> (743)
Free Base

>  <CAS> (743)
1254036-71-9

>  <URL> (743)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (744)
744

>  <Formula> (744)
C10H9NaO4

>  <MolWeight> (744)
216.16583

>  <Cat> (744)
S4740

>  <Name> (744)
Sodium ferulate

>  <Synonyms> (744)
Ferulic acid sodium salt

>  <Target> (744)
Thrombin

>  <Form> (744)
Sodium salt

>  <CAS> (744)
24276-84-4

>  <URL> (744)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

$$$$
S49076.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C22H22N4O4S

>  <MolWeight> (745)
438.49948

>  <Cat> (745)
S8404

>  <Name> (745)
S49076

>  <Synonyms> (745)
N/A

>  <Target> (745)
c-Met  & FGFR

>  <Form> (745)
Free Base

>  <CAS> (745)
1265965-22-7

>  <URL> (745)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (746)
746

>  <Formula> (746)
C20H19FN4O2S

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398.4538632

>  <Cat> (746)
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>  <Name> (746)
GSK583

>  <Synonyms> (746)
N/A

>  <Target> (746)
NF-¦ÊB

>  <Form> (746)
Free Base

>  <CAS> (746)
1346547-00-9

>  <URL> (746)
http://www.selleckchem.com/products/gsk583.html

$$$$
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csChFnd80/07272117312D

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 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (747)
747

>  <Formula> (747)
C27H25ClN6

>  <MolWeight> (747)
468.9806

>  <Cat> (747)
S8339

>  <Name> (747)
Miransertib (ARQ 092)HCl

>  <Synonyms> (747)
Miransertib

>  <Target> (747)
Akt

>  <Form> (747)
hydrochloride

>  <CAS> (747)
1313883-00-9

>  <URL> (747)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/07272117312D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C21H25N7O

>  <MolWeight> (748)
391.4695

>  <Cat> (748)
S8456

>  <Name> (748)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (748)
N/A

>  <Target> (748)
PI3K

>  <Form> (748)
Free Base

>  <CAS> (748)
1383716-46-8

>  <URL> (748)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
BP-1-102.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C29H27F5N2O6S

>  <MolWeight> (749)
626.591496

>  <Cat> (749)
S7769

>  <Name> (749)
BP-1-102

>  <Synonyms> (749)
N/A

>  <Target> (749)
STAT

>  <Form> (749)
Free Base

>  <CAS> (749)
1334493-07-0

>  <URL> (749)
http://www.selleckchem.com/products/bp-1-102.html

$$$$
OTS514.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (750)
750

>  <Formula> (750)
C21H21ClN2O2S

>  <MolWeight> (750)
400.92164

>  <Cat> (750)
S7652

>  <Name> (750)
OTS514 hydrochloride

>  <Synonyms> (750)
N/A

>  <Target> (750)
TOPK

>  <Form> (750)
hydrochloride

>  <CAS> (750)
1338540-63-8(free base)

>  <URL> (750)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C17H20N6O2

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>  <Cat> (751)
S8275

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eFT-508 (eFT508)

>  <Synonyms> (751)
N/A

>  <Target> (751)
MNK

>  <Form> (751)
Free Base

>  <CAS> (751)
1849590-01-7

>  <URL> (751)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/07272117312D

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752

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UK-371804 HCl

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UK-371804 HCl

>  <Target> (752)
Serine Protease

>  <Form> (752)
hydrochloride

>  <CAS> (752)
256476-36-5

>  <URL> (752)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
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CCT196969

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N/A

>  <Target> (753)
Raf

>  <Form> (753)
Free Base

>  <CAS> (753)
1163719-56-9

>  <URL> (753)
http://www.selleckchem.com/products/cct196969.html

$$$$
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754

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LY2857785

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CDK

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Free Base

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1619903-54-6

>  <URL> (754)
http://www.selleckchem.com/products/ly2857785.html

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FLT3

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1370256-78-2

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http://www.selleck.cn/products/sklb4771-flt3-in1.html

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BAY 1217389

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N/A

>  <Target> (756)
Kinesin

>  <Form> (756)
Free Base

>  <CAS> (756)
1554458-53-5

>  <URL> (756)
http://www.selleckchem.com/products/bay-1217389.html

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/07272117312D

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ASP8273 (Naquotinib)

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N/A

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EGFR

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Free Base

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1448232-80-1

>  <URL> (757)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/07272117312D

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CDK

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Free Base

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1453834-21-3

>  <URL> (758)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
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 15  9  1  0  0  0  0
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 30 32  2  0  0  0  0
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M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C25H23ClN6O3

>  <MolWeight> (759)
490.94152

>  <Cat> (759)
S8166

>  <Name> (759)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (759)
N/A

>  <Target> (759)
BTK

>  <Form> (759)
hydrochloride

>  <CAS> (759)
1439901-97-9

>  <URL> (759)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/07272117312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C19H15N3O2

>  <MolWeight> (760)
317.3413

>  <Cat> (760)
S7954

>  <Name> (760)
CP21R7 (CP21)

>  <Synonyms> (760)
N/A

>  <Target> (760)
Wnt/beta-catenin

>  <Form> (760)
Free Base

>  <CAS> (760)
125314-13-8

>  <URL> (760)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/07272117312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 14  4  1  0  0  0  0
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 10  8  1  0  0  0  0
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M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C15H18O2

>  <MolWeight> (761)
230.30222

>  <Cat> (761)
S8291

>  <Name> (761)
Atractylenolide I

>  <Synonyms> (761)
N/A

>  <Target> (761)
Immunology & Inflammation related

>  <Form> (761)
Free Base

>  <CAS> (761)
73069-13-3
73069-13-3

>  <URL> (761)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/07272117312D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.8000    7.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   23
xH2O
M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C14H18ClN3O3RS

>  <MolWeight> (762)
343.82902

>  <Cat> (762)
S8208

>  <Name> (762)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (762)
N/A

>  <Target> (762)
ROCK

>  <Form> (762)
hydrochloride

>  <CAS> (762)
155558-32-0 (HCl salt)

>  <URL> (762)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.0531    1.2054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17  4  2  0  0  0  0
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C21H18F3N5O

>  <MolWeight> (763)
413.3957296

>  <Cat> (763)
S2931

>  <Name> (763)
Aurora Kinase Inhibitor III

>  <Synonyms> (763)
N/A

>  <Target> (763)
Aurora Kinase

>  <Form> (763)
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1532533-67-7

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M  END
>  <Mol_ID> (767)
767

>  <Formula> (767)
C23H26Cl2N2O2S

>  <MolWeight> (767)
465.43574

>  <Cat> (767)
S7648

>  <Name> (767)
OTS964

>  <Synonyms> (767)
N/A

>  <Target> (767)
Others

>  <Form> (767)
dihydrochloride

>  <CAS> (767)
1338545-07-5(HCl salt)

>  <URL> (767)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (768)
768

>  <Formula> (768)
C21H24ClF3N6O2

>  <MolWeight> (768)
484.9024696

>  <Cat> (768)
S8490

>  <Name> (768)
Tanzisertib(CC-930)

>  <Synonyms> (768)
JNK-930|JNKI-1

>  <Target> (768)
JNK

>  <Form> (768)
hydrochloride

>  <CAS> (768)
899805-25-5 (free base)

>  <URL> (768)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C20H24N6O3

>  <MolWeight> (769)
396.44296

>  <Cat> (769)
S8493

>  <Name> (769)
PD-166866

>  <Synonyms> (769)
N/A

>  <Target> (769)
FGFR

>  <Form> (769)
Free Base

>  <CAS> (769)
192705-79-6

>  <URL> (769)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (770)
770

>  <Formula> (770)
C24H24Cl2N4O4

>  <MolWeight> (770)
503.37776

>  <Cat> (770)
S8503

>  <Name> (770)
BLU-554

>  <Synonyms> (770)
N/A

>  <Target> (770)
FGFR

>  <Form> (770)
Free Base

>  <CAS> (770)
1707289-21-1

>  <URL> (770)
http://www.selleckchem.com/products/blu-554.html

$$$$
GSK180736A.cdx
csChFnd80/07272117312D

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>  <URL> (771)
http://www.selleckchem.com/products/gsk180736a.html

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FAK

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Free Base

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1224887-10-8

>  <URL> (772)
http://www.selleckchem.com/products/gsk2256098.html

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PRT318

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Syk

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hydrochloride salt

>  <CAS> (773)
1194961-19-7 (free base)

>  <URL> (773)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

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DNA-PK

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1943733-16-1

>  <URL> (775)
http://www.selleckchem.com/products/yu238259.html

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>  <Target> (776)
K-Ras(G12C)

>  <Form> (776)
free base

>  <CAS> (776)
1629268-00-3

>  <URL> (776)
http://www.selleckchem.com/products/ars-853.html

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N/A

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PKD1,PKD3,PKD2

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dihydrochloride 

>  <CAS> (777)
1883545-60-5

>  <URL> (777)
http://www.selleckchem.com/products/crt0066101.html

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>  <Mol_ID> (778)
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>  <Form> (778)
free base

>  <CAS> (778)
1879887-96-3

>  <URL> (778)
http://www.selleckchem.com/products/lturm34.html

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>  <Mol_ID> (779)
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>  <Formula> (779)
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>  <MolWeight> (779)
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>  <Cat> (779)
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>  <Name> (779)
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>  <Synonyms> (779)
N/A

>  <Target> (779)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (779)
free base

>  <CAS> (779)
1384071-99-1

>  <URL> (779)
http://www.selleckchem.com/products/ad80.html

$$$$
RXDX-106 (CEP-40783).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (780)
780

>  <Formula> (780)
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>  <MolWeight> (780)
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>  <Cat> (780)
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>  <Name> (780)
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>  <Synonyms> (780)
N/A

>  <Target> (780)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (780)
free base

>  <CAS> (780)
1437321-24-8

>  <URL> (780)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

$$$$
GDC-0326.cdx
csChFnd80/07272117312D

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781

>  <Formula> (781)
C19H22N6O3

>  <MolWeight> (781)
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>  <Cat> (781)
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>  <Name> (781)
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>  <Synonyms> (781)
N/A

>  <Target> (781)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (781)
free base

>  <CAS> (781)
1282514-88-8

>  <URL> (781)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
MSC2530818.cdx
csChFnd80/07272117312D

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>  <Formula> (782)
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>  <MolWeight> (782)
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>  <Cat> (782)
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>  <Name> (782)
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>  <Synonyms> (782)
N/A

>  <Target> (782)
CDK8

>  <Form> (782)
free base

>  <CAS> (782)
1883423-59-3

>  <URL> (782)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (783)
783

>  <Formula> (783)
C33H29F2N5O4S

>  <MolWeight> (783)
629.6762664

>  <Cat> (783)
S8573

>  <Name> (783)
Sitravatinib (MGCD516)

>  <Synonyms> (783)
MG-516

>  <Target> (783)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (783)
free base

>  <CAS> (783)
1123837-84-2

>  <URL> (783)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
3BDO.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (784)
784

>  <Formula> (784)
C18H17NO5

>  <MolWeight> (784)
327.33128

>  <Cat> (784)
S8317

>  <Name> (784)
3BDO

>  <Synonyms> (784)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (784)
FKBP1A

>  <Form> (784)
free base

>  <CAS> (784)
890405-51-3

>  <URL> (784)
http://www.selleckchem.com/products/3bdo.html

$$$$
TPX-0005.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (785)
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>  <Formula> (785)
C18H18FN5O2

>  <MolWeight> (785)
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>  <Cat> (785)
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>  <Name> (785)
TPX-0005

>  <Synonyms> (785)
N/A

>  <Target> (785)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (785)
free base

>  <CAS> (785)
no

>  <URL> (785)
http://www.selleckchem.com/products/tpx-0005.html

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csChFnd80/07272117312D

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>  <Mol_ID> (786)
786

>  <Formula> (786)
C20H19N5O3

>  <MolWeight> (786)
377.39656

>  <Cat> (786)
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>  <Name> (786)
GSK2982772

>  <Synonyms> (786)
N/A

>  <Target> (786)
human RIP1

>  <Form> (786)
free base

>  <CAS> (786)
1622848-92-3

>  <URL> (786)
http://www.selleckchem.com/products/gsk2982772.html

$$$$
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PI3K¦Ã

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1693758-51-8

>  <URL> (789)
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791

>  <Formula> (791)
C23H22ClN7O3

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N/A

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TrkC,TrkB,TrkA

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free base

>  <CAS> (791)
1402438-74-7

>  <URL> (791)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (792)
792

>  <Formula> (792)
C19H17N3O2S2

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>  <Cat> (792)
S8465

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GSK'872 (GSK2399872A)

>  <Synonyms> (792)
N/A

>  <Target> (792)
RIP3K

>  <Form> (792)
Free base

>  <CAS> (792)
1346546-69-7

>  <URL> (792)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (793)
793

>  <Formula> (793)
C19H17N5O3

>  <MolWeight> (793)
363.36998

>  <Cat> (793)
S8581

>  <Name> (793)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (793)
N/A

>  <Target> (793)
PI3K¦Á 

>  <Form> (793)
Free base

>  <CAS> (793)
1268454-23-4

>  <URL> (793)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/07272117312D

  7  6  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (794)
794

>  <Formula> (794)
C2HCl2NaO2

>  <MolWeight> (794)
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>  <Cat> (794)
S8615

>  <Name> (794)
Sodium dichloroacetate (DCA)

>  <Synonyms> (794)
bichloroacetic acid, BCA

>  <Target> (794)
PDK

>  <Form> (794)
sodium salt

>  <CAS> (794)
2156-56-1

>  <URL> (794)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (795)
795

>  <Formula> (795)
C33H44FN5O3

>  <MolWeight> (795)
577.7325632

>  <Cat> (795)
S8511

>  <Name> (795)
Belizatinib (TSR-011)

>  <Synonyms> (795)
N/A

>  <Target> (795)
ALK,TRK

>  <Form> (795)
free base

>  <CAS> (795)
1357920-84-3

>  <URL> (795)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C14H11ClN6O3

>  <MolWeight> (796)
346.72854

>  <Cat> (796)
S8596

>  <Name> (796)
Autophinib

>  <Synonyms> (796)
N/A

>  <Target> (796)
autophagy

>  <Form> (796)
free base

>  <CAS> (796)
1644443-47-9

>  <URL> (796)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (797)
797

>  <Formula> (797)
C26H30Cl2N6O4

>  <MolWeight> (797)
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>  <Cat> (797)
S8578

>  <Name> (797)
PRN1371

>  <Synonyms> (797)
N/A

>  <Target> (797)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (797)
free base

>  <CAS> (797)
1802929-43-6

>  <URL> (797)
http://www.selleckchem.com/products/prn1371.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (798)
798

>  <Formula> (798)
C22H25FN6O4S

>  <MolWeight> (798)
488.5351032

>  <Cat> (798)
S2002

>  <Name> (798)
CZC-25146

>  <Synonyms> (798)
N/A

>  <Target> (798)
LRRK2

>  <Form> (798)
Free Base

>  <CAS> (798)
1191911-26-8

>  <URL> (798)
http://www.selleck.cn/products/czc-25146.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (799)
799

>  <Formula> (799)
C29H44N8O3

>  <MolWeight> (799)
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>  <Cat> (799)
S7754

>  <Name> (799)
Gilteritinib (ASP2215)

>  <Synonyms> (799)
N/A

>  <Target> (799)
FLT3,Axl 

>  <Form> (799)
free base

>  <CAS> (799)
1254053-43-4

>  <URL> (799)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
NCT-503.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (800)
800

>  <Formula> (800)
C20H23F3N4S

>  <MolWeight> (800)
408.4836296

>  <Cat> (800)
S8619

>  <Name> (800)
NCT-503

>  <Synonyms> (800)
N/A

>  <Target> (800)
PHGDH

>  <Form> (800)
free base

>  <CAS> (800)
1916571-90-8

>  <URL> (800)
http://www.selleckchem.com/products/nct-503.html

$$$$
Azoramide.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (801)
801

>  <Formula> (801)
C15H17ClN2OS

>  <MolWeight> (801)
308.82628

>  <Cat> (801)
S8304

>  <Name> (801)
Azoramide

>  <Synonyms> (801)
N/A

>  <Target> (801)
UPR

>  <Form> (801)
free base

>  <CAS> (801)
932986-18-0

>  <URL> (801)
http://www.selleckchem.com/products/azoramide.html

$$$$
R-IMPP.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (802)
802

>  <Formula> (802)
C24H27N3O2

>  <MolWeight> (802)
389.49008

>  <Cat> (802)
S8420

>  <Name> (802)
R-IMPP

>  <Synonyms> (802)
N/A

>  <Target> (802)
PCSK9 

>  <Form> (802)
free base

>  <CAS> (802)
no cas

>  <URL> (802)
http://www.selleckchem.com/products/r-impp.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (803)
803

>  <Formula> (803)
C20H14ClN3O2

>  <MolWeight> (803)
363.79706

>  <Cat> (803)
S8632

>  <Name> (803)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (803)
N/A

>  <Target> (803)
Chk2

>  <Form> (803)
free base

>  <CAS> (803)
516480-79-8

>  <URL> (803)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/07272117312D

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804

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C22H27N7O2S

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>  <Synonyms> (804)
N/A

>  <Target> (804)
ERK1,ERK2

>  <Form> (804)
free base

>  <CAS> (804)
1951483-29-6

>  <URL> (804)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (805)
805

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C19H16ClNO3

>  <MolWeight> (805)
341.78824

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S8335

>  <Name> (805)
PF-06409577

>  <Synonyms> (805)
N/A

>  <Target> (805)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (805)
free base

>  <CAS> (805)
1467057-23-3

>  <URL> (805)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
CCG-203971.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (806)
806

>  <Formula> (806)
C23H21ClN2O3

>  <MolWeight> (806)
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>  <Cat> (806)
S8469

>  <Name> (806)
CCG-203971

>  <Synonyms> (806)
N/A

>  <Target> (806)
SRE.L

>  <Form> (806)
free base

>  <CAS> (806)
1443437-74-8

>  <URL> (806)
http://www.selleckchem.com/products/ccg-203971.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/07272117312D

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>  <Mol_ID> (807)
807

>  <Formula> (807)
C18H19NO2S2

>  <MolWeight> (807)
345.47896

>  <Cat> (807)
S8616

>  <Name> (807)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (807)
N/A

>  <Target> (807)
PKM2

>  <Form> (807)
free base

>  <CAS> (807)
94164-88-2

>  <URL> (807)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (808)
808

>  <Formula> (808)
C21H20N2O3S

>  <MolWeight> (808)
380.4601

>  <Cat> (808)
S8286

>  <Name> (808)
MKC-3946

>  <Synonyms> (808)
N/A

>  <Target> (808)
IRE1¦Á endoribonuclease

>  <Form> (808)
free base

>  <CAS> (808)
1093119-54-0

>  <URL> (808)
http://www.selleckchem.com/products/mkc-3946.html

$$$$
LYN-1604.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (809)
809

>  <Formula> (809)
C33H45Cl4N3O2

>  <MolWeight> (809)
657.5413

>  <Cat> (809)
S8597

>  <Name> (809)
LYN-1604

>  <Synonyms> (809)
N/A

>  <Target> (809)
ULK1

>  <Form> (809)
dihydrochloride

>  <CAS> (809)
2088939-99-3(free base)

>  <URL> (809)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
CA-4948.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (810)
810

>  <Formula> (810)
C21H19N7O3

>  <MolWeight> (810)
417.42066

>  <Cat> (810)
S8562

>  <Name> (810)
CA-4948

>  <Synonyms> (810)
N/A

>  <Target> (810)
IRAK4

>  <Form> (810)
free base

>  <CAS> (810)
1801343-74-7

>  <URL> (810)
http://www.selleckchem.com/products/ca-4948.html

$$$$
S3614 Lupeol.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (811)
811

>  <Formula> (811)
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>  <MolWeight> (811)
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>  <Cat> (811)
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>  <Name> (811)
Lupeol

>  <Synonyms> (811)
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>  <Target> (811)
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>  <Form> (811)
free base

>  <CAS> (811)
545-47-1

>  <URL> (811)
http://www.selleckchem.com/products/lupeol.html

$$$$
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>  <Mol_ID> (812)
812

>  <Formula> (812)
C27H21NO5S

>  <MolWeight> (812)
471.52434

>  <Cat> (812)
S8605

>  <Name> (812)
C188-9

>  <Synonyms> (812)
N/A

>  <Target> (812)
STAT3

>  <Form> (812)
free base

>  <CAS> (812)
432001-19-9

>  <URL> (812)
http://www.selleckchem.com/products/c188-9.html

$$$$
3PO.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C13H10N2O

>  <MolWeight> (813)
210.2313

>  <Cat> (813)
S7639

>  <Name> (813)
3PO

>  <Synonyms> (813)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (813)
PFKFB3

>  <Form> (813)
free base

>  <CAS> (813)
18550-98-6

>  <URL> (813)
http://www.selleckchem.com/products/3po.html

$$$$
H3B-6527.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (814)
814

>  <Formula> (814)
C29H34Cl2N8O4

>  <MolWeight> (814)
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>  <Cat> (814)
S8675

>  <Name> (814)
H3B-6527

>  <Synonyms> (814)
N/A

>  <Target> (814)
FGFR4

>  <Form> (814)
free base

>  <CAS> (814)
1702259-66-2

>  <URL> (814)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
S5144 Neferine.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (815)
815

>  <Formula> (815)
C38H44N2O6

>  <MolWeight> (815)
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>  <Cat> (815)
S5144

>  <Name> (815)
Neferine

>  <Synonyms> (815)
(R)-1,2-Dimethoxyaporphine

>  <Target> (815)
Others

>  <Form> (815)
free base

>  <CAS> (815)
2292-16-2

>  <URL> (815)
http://www.selleckchem.com/products/neferine.html

$$$$
Takinib.cdx
csChFnd80/07272117312D

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    3.6848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792    3.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (816)
816

>  <Formula> (816)
C18H18N4O2

>  <MolWeight> (816)
322.36112

>  <Cat> (816)
S8663

>  <Name> (816)
Takinib

>  <Synonyms> (816)
EDHS-206

>  <Target> (816)
TAK1,IRAK4,IRAK1

>  <Form> (816)
free base

>  <CAS> (816)
1111556-37-6

>  <URL> (816)
http://www.selleckchem.com/products/takinib.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/07272117312D

 15 12  0  0  0  0  0  0  0  0999 V2000
    7.1740    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7492    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    0.8876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3243    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2367    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.9252    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8210    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C4H8N3Na2O5P

>  <MolWeight> (817)
255.076721

>  <Cat> (817)
S4770

>  <Name> (817)
Creatine phosphate disodium salt

>  <Synonyms> (817)
Phosphocreatine disodium salt

>  <Target> (817)
Others

>  <Form> (817)
disodium salt

>  <CAS> (817)
922-32-7

>  <URL> (817)
http://www.selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/07272117312D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (818)
818

>  <Formula> (818)
C6H6Na3O9P

>  <MolWeight> (818)
322.049511

>  <Cat> (818)
S5115

>  <Name> (818)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (818)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (818)
Others

>  <Form> (818)
sodium salt

>  <CAS> (818)
66170-10-3

>  <URL> (818)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C15H19N5O

>  <MolWeight> (819)
285.34426

>  <Cat> (819)
S8538

>  <Name> (819)
PF-06651600

>  <Synonyms> (819)
N/A

>  <Target> (819)
JAK3 

>  <Form> (819)
free base

>  <CAS> (819)
1792180-81-4

>  <URL> (819)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C15H10O5

>  <MolWeight> (820)
270.2369

>  <Cat> (820)
S8696

>  <Name> (820)
2-D08
2-D08

>  <Synonyms> (820)
2',3',4'-trihydroxy flavone

>  <Target> (820)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (820)
free base

>  <CAS> (820)
144707-18-6

>  <URL> (820)
http://selleckchem.com/products/2-d08.html

$$$$
S5045 Nomilin.cdx
csChFnd80/07272117312D

 39 44  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.3026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9215    3.6125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1413    5.7122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3566    3.6125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    2.8930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3566    6.4072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9215    6.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5765    4.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (821)
821

>  <Formula> (821)
C28H34O9

>  <MolWeight> (821)
514.56416

>  <Cat> (821)
S5045

>  <Name> (821)
Nomilin

>  <Synonyms> (821)
N/A

>  <Target> (821)
Others

>  <Form> (821)
free base

>  <CAS> (821)
1063-77-0

>  <URL> (821)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/07272117312D

 34 35  0  0  0  0  0  0  0  0999 V2000
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   20.6114    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (822)
822

>  <Formula> (822)
C21H17ClF4N4O4

>  <MolWeight> (822)
500.8306928

>  <Cat> (822)
S5077

>  <Name> (822)
Regorafenib Monohydrate

>  <Synonyms> (822)
N/A

>  <Target> (822)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (822)
monohydrate

>  <CAS> (822)
1019206-88-2

>  <URL> (822)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/07272117312D

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 10 13  2  0  0  0  0
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M  END
>  <Mol_ID> (823)
823

>  <Formula> (823)
C10H12N4O3

>  <MolWeight> (823)
236.22728

>  <Cat> (823)
S5084

>  <Name> (823)
Carbazochrome

>  <Synonyms> (823)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (823)
Others

>  <Form> (823)
free base

>  <CAS> (823)
69-81-8

>  <URL> (823)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/07272117312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (824)
824

>  <Formula> (824)
C19H11Cl2I2NO3

>  <MolWeight> (824)
626.01048

>  <Cat> (824)
S5093

>  <Name> (824)
Rafoxanide

>  <Synonyms> (824)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (824)
Anti-infection

>  <Form> (824)
free base

>  <CAS> (824)
22662-39-1

>  <URL> (824)
http://selleckchem.com/products/rafoxanide.html

$$$$
BGB-3111.cdx
csChFnd80/07272117312D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (825)
825

>  <Formula> (825)
C24H25N5O3

>  <MolWeight> (825)
431.487

>  <Cat> (825)
S8542

>  <Name> (825)
Btk inhibitor 2

>  <Synonyms> (825)
N/A

>  <Target> (825)
BTK

>  <Form> (825)
free base

>  <CAS> (825)
1558036-85-3

>  <URL> (825)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/07272117312D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (826)
826

>  <Formula> (826)
C28H25F3N6O

>  <MolWeight> (826)
518.5329096

>  <Cat> (826)
S8658

>  <Name> (826)
kira6

>  <Synonyms> (826)
N/A

>  <Target> (826)
Others

>  <CAS> (826)
1589527-65-0

>  <URL> (826)
http://selleckchem.com/products/kira6.html

$$$$
SNS-314.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (827)
827

>  <Formula> (827)
C18H15ClN6OS2

>  <MolWeight> (827)
430.9343

>  <Cat> (827)
S8699

>  <Name> (827)
SNS-314 Mesylate

>  <Synonyms> (827)
N/A

>  <Target> (827)
Aurora Kinase

>  <CAS> (827)
1057249-41-8

>  <URL> (827)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (828)
828

>  <Formula> (828)
C31H26N4O3

>  <MolWeight> (828)
502.56314

>  <Cat> (828)
S8348

>  <Name> (828)
BMS-935177

>  <Synonyms> (828)
N/A

>  <Target> (828)
BTK,Trk receptor,c-RET

>  <Form> (828)
free base

>  <CAS> (828)
1231889-53-4

>  <URL> (828)
http://selleckchem.com/products/bms-935177.html

$$$$
KPT-9274.cdx
csChFnd80/07272117312D

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>  <Target> (829)
NAMPT,PAK

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free base

>  <CAS> (829)
1643913-93-2

>  <URL> (829)
http://selleckchem.com/products/kpt-9274.html

$$$$
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csChFnd80/07272117312D

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830

>  <Formula> (830)
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>  <Cat> (830)
S8555

>  <Name> (830)
Asciminib (ABL001)

>  <Synonyms> (830)
N/A

>  <Target> (830)
Bcr-Abl

>  <Form> (830)
free base

>  <CAS> (830)
1492952-76-7

>  <URL> (830)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
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csChFnd80/07272117312D

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C23H18FN5O2

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Tenalisib (RP6530)

>  <Synonyms> (831)
N/A

>  <Target> (831)
PI3K

>  <Form> (831)
free base

>  <CAS> (831)
1639417-53-0

>  <URL> (831)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
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csChFnd80/07272117312D

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N/A

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STAT

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free base

>  <CAS> (832)
919486-40-1

>  <URL> (832)
http://selleckchem.com/products/as1517499.html

$$$$
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20  7  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (833)
833

>  <Formula> (833)
C28H29F3N4O4

>  <MolWeight> (833)
542.5494696

>  <Cat> (833)
S8690

>  <Name> (833)
RAF709

>  <Synonyms> (833)
N/A

>  <Target> (833)
Raf

>  <Form> (833)
free base

>  <CAS> (833)
1628838-42-5

>  <URL> (833)
http://selleckchem.com/products/raf709.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/07272117312D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (834)
834

>  <Formula> (834)
C13H18N2O6

>  <MolWeight> (834)
298.29182

>  <Cat> (834)
S5060

>  <Name> (834)
 Metadoxine

>  <Synonyms> (834)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (834)
Others

>  <Form> (834)
salt

>  <CAS> (834)
74536-44-0

>  <URL> (834)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/07272117312D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (835)
835

>  <Formula> (835)
C10H16N5O8P

>  <MolWeight> (835)
365.236501

>  <Cat> (835)
S5284

>  <Name> (835)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (835)
5'-Adenylic acid, 5'-AMP

>  <Target> (835)
AMPK

>  <Form> (835)
hydrate 

>  <CAS> (835)
18422-05-4

>  <URL> (835)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/07272117312D

 14 10  0  0  0  0  0  0  0  0999 V2000
    7.1296    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9158    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
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  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (836)
836

>  <Formula> (836)
C6H14Cl4N4

>  <MolWeight> (836)
284.01416

>  <Cat> (836)
S5321

>  <Name> (836)
Y15

>  <Synonyms> (836)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (836)
FAK

>  <Form> (836)
tetrahydrochloride 

>  <CAS> (836)
4506-66-5

>  <URL> (836)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (837)
837

>  <Formula> (837)
C18H16N2O

>  <MolWeight> (837)
276.33244

>  <Cat> (837)
S5313

>  <Name> (837)
SC66

>  <Synonyms> (837)
N/A

>  <Target> (837)
Akt

>  <Form> (837)
free base

>  <CAS> (837)
871361-88-5

>  <URL> (837)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/07272117312D

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    7.4145    0.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1918    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C12H17N5O

>  <MolWeight> (838)
247.29628

>  <Cat> (838)
S5316

>  <Name> (838)
NU2058

>  <Synonyms> (838)
O(6)-Cyclohexylmethylguanine

>  <Target> (838)
CDK

>  <Form> (838)
free base

>  <CAS> (838)
161058-83-9

>  <URL> (838)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/07272117312D

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C27H32FN5O2

>  <MolWeight> (839)
477.5736832

>  <Cat> (839)
S8680

>  <Name> (839)
AZD1390

>  <Synonyms> (839)
N/A

>  <Target> (839)
ATM/ATR

>  <Form> (839)
free base

>  <CAS> (839)
2089288-03-7

>  <URL> (839)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (840)
840

>  <Formula> (840)
C22H25Cl2FN4O3

>  <MolWeight> (840)
483.3633032

>  <Cat> (840)
S5098

>  <Name> (840)
Gefitinib hydrochloride

>  <Synonyms> (840)
ZD1839 hydrochloride

>  <Target> (840)
EGFR

>  <Form> (840)
hydrochloride 

>  <CAS> (840)
184475-55-6

>  <URL> (840)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (841)
841

>  <Formula> (841)
C23H26ClN

>  <MolWeight> (841)
351.91224

>  <Cat> (841)
S5279

>  <Name> (841)
Fendiline hydrochloride

>  <Synonyms> (841)
N/A

>  <Target> (841)
Calcium Channel,Ras

>  <Form> (841)
hydrochloride 

>  <CAS> (841)
13636-18-5

>  <URL> (841)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (842)
842

>  <Formula> (842)
C14H18N2O

>  <MolWeight> (842)
230.30552

>  <Cat> (842)
S8642

>  <Name> (842)
GSK'963

>  <Synonyms> (842)
N/A

>  <Target> (842)
NF-¦ÊB,TNF-alpha

>  <Form> (842)
free base

>  <CAS> (842)
2049868-46-2

>  <URL> (842)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (843)
843

>  <Formula> (843)
C6H4K2NO8V

>  <MolWeight> (843)
347.23596

>  <Cat> (843)
S8651

>  <Name> (843)
bpV (HOpic)

>  <Synonyms> (843)
Bisperoxovanadium(HOpic)

>  <Target> (843)
PTEN

>  <Form> (843)
potassium 

>  <CAS> (843)
722494-26-0

>  <URL> (843)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/07272117312D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   11.4375    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8624    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8624    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6499    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0748    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 23 25  1  0  0  0  0
 17 26  1  0  0  0  0
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 29 27  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (844)
844

>  <Formula> (844)
C23H24Cl2FN3O3

>  <MolWeight> (844)
480.3593632

>  <Cat> (844)
S8726

>  <Name> (844)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (844)
N/A

>  <Target> (844)
VEGFR

>  <Form> (844)
dihydrochloride 

>  <CAS> (844)
1360460-82-7

>  <URL> (844)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/07272117312D

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 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C26H21F2N5O3

>  <MolWeight> (845)
489.4734464

>  <Cat> (845)
S8721

>  <Name> (845)
DCC-2618

>  <Synonyms> (845)
N/A

>  <Target> (845)
c-Kit

>  <CAS> (845)
 1225278-16-9

>  <URL> (845)
http://selleckchem.com/products/dcc-2618.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/07272117312D

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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C21H28O2

>  <MolWeight> (846)
312.44582

>  <Cat> (846)
S3792

>  <Name> (846)
Guggulsterone E&Z

>  <Synonyms> (846)
N/A

>  <Target> (846)
FXR

>  <Form> (846)
free base

>  <CAS> (846)
95975-55-6

>  <URL> (846)
http://selleckchem.com/products/guggulsterone.html

$$$$
S4955 Acetosyringone.cdx
csChFnd80/07272117312D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C10H12O4

>  <MolWeight> (847)
196.19988

>  <Cat> (847)
S4955

>  <Name> (847)
Acetosyringone

>  <Synonyms> (847)
Acetosyringenin

>  <Target> (847)
Others

>  <Form> (847)
free base

>  <CAS> (847)
2478-38-8

>  <URL> (847)
http://selleckchem.com/products/acetosyringone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/07272117312D

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   12.1470    8.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7947    8.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5202    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8921    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2236    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    3.4356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5938    3.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    2.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  8  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
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  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C24H24F3N5O5S3

>  <MolWeight> (848)
615.6680696

>  <Cat> (848)
S5069

>  <Name> (848)
Dabrafenib Mesylate

>  <Synonyms> (848)
GSK2118436 Mesylate

>  <Target> (848)
Raf

>  <Form> (848)
mesylate

>  <CAS> (848)
1195768-06-9

>  <URL> (848)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/07272117312D

 46 49  0  0  0  0  0  0  0  0999 V2000
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    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4840    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    6.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    8.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    8.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1987    7.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    5.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6915    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    9.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    9.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262   10.8811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2956   11.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6579   12.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2855   10.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6378   10.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9801    9.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3424   11.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0002   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6947   11.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9362   11.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4689    4.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6813    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2565    4.0011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.9565    2.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565    5.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0440    3.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
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 17 18  1  0  0  0  0
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 14 15  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 31 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  0  0  0  0
  3 14  2  0  0  0  0
 12 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C33H39N5O7S

>  <MolWeight> (849)
649.75706

>  <Cat> (849)
S5234

>  <Name> (849)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (849)
Intedanib, BIBF 1120

>  <Target> (849)
VEGFR,FGFR,PDGFR

>  <Form> (849)
ethanesulfonate 

>  <CAS> (849)
656247-18-6

>  <URL> (849)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/07272117312D

 41 44  0  0  0  0  0  0  0  0999 V2000
   10.8290    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    7.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8912    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1036    7.8882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2500    9.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6194    9.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3194    8.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3826    7.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    9.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    9.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    5.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    5.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5544    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    7.1882    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 14 15  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
  7 20  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 23 31  1  0  0  0  0
 26 31  2  0  0  0  0
 24 32  1  0  0  0  0
 27 33  1  0  0  0  0
 22 28  1  0  0  0  0
  4 22  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C29H31FN4O7

>  <MolWeight> (850)
566.5774432

>  <Cat> (850)
S5242

>  <Name> (850)
Cediranib Maleate

>  <Synonyms> (850)
AZD-2171 maleate

>  <Target> (850)
VEGFR

>  <Form> (850)
maleate

>  <CAS> (850)
 857036-77-2

>  <URL> (850)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/07272117312D

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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
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 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C22H42O2

>  <MolWeight> (851)
338.56768

>  <Cat> (851)
S5383

>  <Name> (851)
Erucic acid

>  <Synonyms> (851)
cis-13-docosenoic acid

>  <Target> (851)
Others

>  <Form> (851)
free base

>  <CAS> (851)
112-86-7

>  <URL> (851)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/07272117312D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C3H3BrO3

>  <MolWeight> (852)
166.95812

>  <Cat> (852)
S5426

>  <Name> (852)
Bromopyruvic acid

>  <Synonyms> (852)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (852)
Others

>  <Form> (852)
free base

>  <CAS> (852)
1113-59-3

>  <URL> (852)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/07272117312D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (853)
853

>  <Formula> (853)
C8H6BrN

>  <MolWeight> (853)
196.04394

>  <Cat> (853)
S5439

>  <Name> (853)
5-Bromoindole

>  <Synonyms> (853)
N/A

>  <Target> (853)
GSK-3

>  <Form> (853)
free base

>  <CAS> (853)
10075-50-0

>  <URL> (853)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/07272117312D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (854)
854

>  <Formula> (854)
C11H12O4

>  <MolWeight> (854)
208.21058

>  <Cat> (854)
S5451

>  <Name> (854)
Ferulic acid methyl ester

>  <Synonyms> (854)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (854)
Immunology & Inflammation related

>  <Form> (854)
free base

>  <CAS> (854)
149567

>  <URL> (854)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/07272117312D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C20H14ClNO4

>  <MolWeight> (855)
367.78246

>  <Cat> (855)
S5452

>  <Name> (855)
Sanguinarine chloride

>  <Synonyms> (855)
N/A

>  <Target> (855)
phosphatase

>  <Form> (855)
chloride 

>  <CAS> (855)
5578-73-4

>  <URL> (855)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/07272117312D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7241    4.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9338    4.8373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3568    4.8031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    4.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    3.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    5.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    5.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7118    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1677    7.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2160    9.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    9.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1031    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
  4  7  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
  1  2  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 15 18  1  0  0  0  0
 13 37  1  1  0  0  0
 16 20  1  0  0  0  0
  6 38  1  1  0  0  0
 19 17  1  0  0  0  0
  2 39  1  1  0  0  0
 17 18  1  0  0  0  0
  1 40  1  6  0  0  0
 19 20  1  0  0  0  0
  4 41  1  6  0  0  0
  1  6  1  0  0  0  0
  3 42  1  6  0  0  0
  2  3  1  0  0  0  0
  9 43  1  6  0  0  0
  3  4  1  0  0  0  0
 10 44  1  6  0  0  0
  4  5  1  0  0  0  0
 20 45  1  6  0  0  0
 19 23  1  0  0  0  0
 23 46  1  6  0  0  0
 20 21  1  0  0  0  0
 28 47  1  6  0  0  0
 21 22  1  0  0  0  0
 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
 12 49  1  1  0  0  0
 23 24  1  0  0  0  0
 16 50  1  1  0  0  0
  5  6  1  0  0  0  0
 19 51  1  1  0  0  0
  8 13  1  0  0  0  0
 24 52  1  1  0  0  0
  9 10  1  0  0  0  0
 27 53  1  1  0  0  0
 10 11  1  0  0  0  0
 32 54  1  1  0  0  0
 53 54  1  0  0  0  0
 23 26  1  0  0  0  0
 31 55  1  1  0  0  0
 24 28  1  0  0  0  0
 35 56  1  0  0  0  0
 27 25  1  0  0  0  0
 35 57  1  0  0  0  0
 25 26  2  0  0  0  0
 38 58  1  0  0  0  0
 27 28  1  0  0  0  0
 16 59  1  0  0  0  0
 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C42H68O13

>  <MolWeight> (856)
780.98152

>  <Cat> (856)
S5454

>  <Name> (856)
Saikosaponin D

>  <Synonyms> (856)
N/A

>  <Target> (856)
ATPase

>  <Form> (856)
free base

>  <CAS> (856)
20874-52-6

>  <URL> (856)
http://selleckchem.com/products/saikosaponin-d.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/07272117312D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C20H20O4

>  <MolWeight> (857)
324.3704

>  <Cat> (857)
S5456

>  <Name> (857)
Isobavachalcone

>  <Synonyms> (857)
Corylifolinin

>  <Target> (857)
Anti-infection

>  <Form> (857)
free base

>  <CAS> (857)
20784-50-3

>  <URL> (857)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/07272117312D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C22H26O11

>  <MolWeight> (858)
466.43524

>  <Cat> (858)
S5457

>  <Name> (858)
Curculigoside

>  <Synonyms> (858)
Curculigoside A

>  <Target> (858)
Immunology & Inflammation related

>  <Form> (858)
free base

>  <CAS> (858)
85643-19-2

>  <URL> (858)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/07272117312D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C29H36O15

>  <MolWeight> (859)
624.58714

>  <Cat> (859)
S5458

>  <Name> (859)
Verbascoside

>  <Synonyms> (859)
Acteoside, Kusaginin

>  <Target> (859)
Immunology & Inflammation related

>  <Form> (859)
free base

>  <CAS> (859)
61276-17-3

>  <URL> (859)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/07272117312D

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 11  9  1  0  0  0  0
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M  END
>  <Mol_ID> (860)
860

>  <Formula> (860)
C20H16O5

>  <MolWeight> (860)
336.33804

>  <Cat> (860)
S5464

>  <Name> (860)
Psoralidin

>  <Synonyms> (860)
N/A

>  <Target> (860)
Estrogen/progestogen Receptor

>  <Form> (860)
free base

>  <CAS> (860)
18642-23-4

>  <URL> (860)
http://selleckchem.com/products/psoralidin.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/07272117312D

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2084    7.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2073    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    8.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710    6.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    7.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    8.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    4.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7140    8.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7129    9.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4961   10.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9213   10.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    5.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    4.2038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0709    3.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    2.1042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2740    1.3979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4951    2.0992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4968    3.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7052    4.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    0.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7034    1.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    3.4988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9117    2.0983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    1.3953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3426    2.0974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3435    3.4974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1249    4.2012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5510    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1249    5.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5519    4.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    0.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  6  0  0  0
 25 29  1  6  0  0  0
 24 30  1  1  0  0  0
 26 31  1  1  0  0  0
 32 28  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 37 40  1  6  0  0  0
 36 41  1  6  0  0  0
 30 42  1  0  0  0  0
M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C27H30O15

>  <MolWeight> (861)
594.5181

>  <Cat> (861)
S5468

>  <Name> (861)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (861)
Kaempferol 3-neohesperidoside

>  <Target> (861)
Others

>  <Form> (861)
salt

>  <CAS> (861)
40437-72-7

>  <URL> (861)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C14H8O9

>  <MolWeight> (862)
320.20792

>  <Cat> (862)
S5516

>  <Name> (862)
Ellagic Acid hydrate

>  <Synonyms> (862)
N/A

>  <Target> (862)
Casein Kinase

>  <Form> (862)
monohydrate 

>  <CAS> (862)
 314041-08-2

>  <URL> (862)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5529 Galangin.cdx
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    4.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6858    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180    0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (863)
863

>  <Formula> (863)
C15H10O5

>  <MolWeight> (863)
270.2369

>  <Cat> (863)
S5529

>  <Name> (863)
Galangin

>  <Synonyms> (863)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (863)
P450 (e.g. CYP17)

>  <Form> (863)
free base

>  <CAS> (863)
548-83-4

>  <URL> (863)
http://selleckchem.com/products/galangin.html

$$$$
S5534 Cinchocaine.cdx
csChFnd80/07272117312D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    2.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    4.2121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764    2.8244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    0.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    6.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    2.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    7.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002    2.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    9.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351   10.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1367    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9244    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (864)
864

>  <Formula> (864)
C20H29N3O2

>  <MolWeight> (864)
343.46316

>  <Cat> (864)
S5534

>  <Name> (864)
Cinchocaine

>  <Synonyms> (864)
Dibucaine

>  <Target> (864)
Others

>  <Form> (864)
free base

>  <CAS> (864)
85-79-0

>  <URL> (864)
http://selleckchem.com/products/cinchocaine.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/07272117312D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (865)
865

>  <Formula> (865)
C3H7NO3

>  <MolWeight> (865)
105.09258

>  <Cat> (865)
S5545

>  <Name> (865)
DL-Serine

>  <Synonyms> (865)
N/A

>  <Target> (865)
PKM

>  <CAS> (865)
302-84-1

>  <URL> (865)
http://selleckchem.com/products/dl-serine.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/07272117312D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (866)
866

>  <Formula> (866)
C49H76O20

>  <MolWeight> (866)
985.11574

>  <Cat> (866)
S5554

>  <Name> (866)
Lanatoside C

>  <Synonyms> (866)
N/A

>  <Target> (866)
ATPase

>  <Form> (866)
free base

>  <CAS> (866)
17575-22-3

>  <URL> (866)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5584 Citronellol.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (867)
867

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C10H20O

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156.2652

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S5584

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Citronellol

>  <Synonyms> (867)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (867)
Others

>  <Form> (867)
free base

>  <CAS> (867)
106-22-9

>  <URL> (867)
http://selleckchem.com/products/citronellol.html

$$$$
S5588 Creatine.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (868)
868

>  <Formula> (868)
C4H9N3O2

>  <MolWeight> (868)
131.13316

>  <Cat> (868)
S5588

>  <Name> (868)
Creatine

>  <Synonyms> (868)
Methylguanidoacetic acid

>  <Target> (868)
Others

>  <Form> (868)
free base

>  <CAS> (868)
57-00-1

>  <URL> (868)
http://selleckchem.com/products/creatine.html

$$$$
UM-164.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C30H31F3N8O3S

>  <MolWeight> (869)
640.6791496

>  <Cat> (869)
S8706

>  <Name> (869)
UM-164

>  <Synonyms> (869)
N/A

>  <Target> (869)
Src,p38 MAPK

>  <Form> (869)
free base

>  <CAS> (869)
903564-48-7

>  <URL> (869)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/07272117312D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1867    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C28H23ClF3N7O

>  <MolWeight> (870)
565.9767296

>  <Cat> (870)
S5205

>  <Name> (870)
Nilotinib hydrochloride

>  <Synonyms> (870)
AMN-107 HCl

>  <Target> (870)
Bcr-Abl

>  <Form> (870)
hydrochloride 

>  <CAS> (870)
923288-95-3

>  <URL> (870)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/07272117312D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    2.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6798    2.6677    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6798    4.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6798    1.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C22H23ClN4O7S

>  <MolWeight> (871)
522.95862

>  <Cat> (871)
S5240

>  <Name> (871)
lenvatinib Mesylate

>  <Synonyms> (871)
N/A

>  <Target> (871)
VEGFR

>  <Form> (871)
Mesylate

>  <CAS> (871)
 857890-39-2

>  <URL> (871)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/07272117312D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6325    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3902    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2006    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C6HBr4N3

>  <MolWeight> (872)
434.70824

>  <Cat> (872)
S5265

>  <Name> (872)
TBB

>  <Synonyms> (872)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (872)
Casein Kinase

>  <CAS> (872)
17374-26-4

>  <URL> (872)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/07272117312D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    8.9877    8.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0677    6.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    6.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8905    7.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    4.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4926    6.9472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7050    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
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 18 21  2  0  0  0  0
  5 18  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C22H28FN4O6P

>  <MolWeight> (873)
494.4530842

>  <Cat> (873)
S5272

>  <Name> (873)
Toceranib phosphate

>  <Synonyms> (873)
SU11654

>  <Target> (873)
PDGFR¦Â

>  <Form> (873)
phosphate 

>  <CAS> (873)
874819-74-6

>  <URL> (873)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C25H23ClN4O4

>  <MolWeight> (874)
478.92752

>  <Cat> (874)
S8711

>  <Name> (874)
ARQ 531

>  <Synonyms> (874)
N/A

>  <Target> (874)
BTK

>  <Form> (874)
free base

>  <CAS> (874)
2095393-15-8

>  <URL> (874)
http://selleckchem.com/products/.html

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/07272117312D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C7H5N3O2

>  <MolWeight> (875)
163.1335

>  <Cat> (875)
S5542

>  <Name> (875)
7-Nitroindazole

>  <Synonyms> (875)
N/A

>  <Target> (875)
neuronal?nitric oxide synthase

>  <Form> (875)
free base

>  <CAS> (875)
2942-42-9

>  <URL> (875)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C30H34N8O3

>  <MolWeight> (876)
554.64276

>  <Cat> (876)
S8724

>  <Name> (876)
Lazertinib (YH25448,GNS-1480)

>  <Form> (876)
free base

>  <CAS> (876)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/07272117312D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6481    3.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    4.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6 11  1  0  0  0  0
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  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C9H10O5

>  <MolWeight> (877)
198.1727

>  <Cat> (877)
S5550

>  <Name> (877)
Ethyl gallate

>  <Synonyms> (877)
N/A

>  <Target> (877)
NF-¦ÊB

>  <CAS> (877)
831-61-8

>  <URL> (877)
http://selleckchem.com/products/.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/07272117312D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4354    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0046    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C10H6O4

>  <MolWeight> (878)
190.15224

>  <Cat> (878)
S9361

>  <Name> (878)
Coumarin-3-carboxylic acid

>  <Form> (878)
free base

>  <CAS> (878)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    1.6636    2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    6.6614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    6.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.4459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488    2.3174    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    3.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    1.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  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  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C10H14N5O7P

>  <MolWeight> (879)
347.221221

>  <Cat> (879)
S9366

>  <Name> (879)
5'-Adenylic acid

>  <Form> (879)
free base

>  <CAS> (879)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/07272117312D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C8H8O3

>  <MolWeight> (880)
152.14732

>  <Cat> (880)
S9374

>  <Name> (880)
2',5'-Dihydroxyacetophenone

>  <CAS> (880)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    6.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    3.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    1.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.4068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    2.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C15H24N2O2

>  <MolWeight> (881)
264.36326

>  <Cat> (881)
S9384

>  <Name> (881)
Sophocarpine Monohydrate

>  <Form> (881)
free base

>  <CAS> (881)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/07272117312D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C6H13NO3

>  <MolWeight> (882)
147.17232

>  <Cat> (882)
S9393

>  <Name> (882)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (882)
free base

>  <CAS> (882)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/07272117312D

 29 34  0  0  0  0  0  0  0  0999 V2000
    8.3135    6.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5221    5.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375    3.4814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0096    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0096    5.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2375    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    1.3973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8023    2.0992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8023    3.5079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5884    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5884    5.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8116    6.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3730    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1718    5.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    6.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    3.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8147    6.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185    6.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1195    7.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7584    7.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6712    3.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5887    2.8072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4347    2.7902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7975    4.8901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
  6 21  1  6  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  2  0  0  0  0
 10 25  1  6  0  0  0
  9 26  1  6  0  0  0
  4 27  1  1  0  0  0
  8 28  1  1  0  0  0
  5 29  1  6  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C20H20O6

>  <MolWeight> (883)
356.3692

>  <Cat> (883)
S9406

>  <Name> (883)
Sauchinone

>  <CAS> (883)
177931-17-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/07272117312D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.3112    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    5.5776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6034    3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    2.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6231    6.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1113    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    6.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    3.5009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8982    5.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    7.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6786    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4524    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    4.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3438    7.6939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5881    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506    8.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    3.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2998    6.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0197    4.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    6.9224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9171    6.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7632    8.2805    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8995    7.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2402    4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    8.5639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7086    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3366    7.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589    0.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0231    6.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3246    9.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 17 24  1  0  0  0  0
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 30 33  1  1  0  0  0
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 20 40  1  6  0  0  0
M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C29H44O8

>  <MolWeight> (884)
520.65486

>  <Cat> (884)
S9414

>  <Name> (884)
Cyasterone

>  <Form> (884)
free base

>  <CAS> (884)
17086-76-9

$$$$
S9417 Homoplantaginin.cdx
csChFnd80/07272117312D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 10 21  1  0  0  0  0
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M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C22H22O11

>  <MolWeight> (885)
462.40348

>  <Cat> (885)
S9417

>  <Name> (885)
Homoplantaginin

>  <Form> (885)
free base

>  <CAS> (885)
17680-84-1

$$$$
S9430 Tomatidine.cdx
csChFnd80/07272117312D

 37 41  0  0  0  0  0  0  0  0999 V2000
   10.7826    6.6746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.9994    5.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C27H46ClNO2

>  <MolWeight> (886)
452.11264

>  <Cat> (886)
S9430

>  <Name> (886)
Tomatidine

>  <Form> (886)
free base

>  <CAS> (886)
6192-62-7

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/07272117312D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C22H24NO4+

>  <MolWeight> (887)
366.43026

>  <Cat> (887)
S9431

>  <Name> (887)
Dehydrocorydalin

>  <Form> (887)
free base

>  <CAS> (887)
30045-16-0

$$$$

csChFnd80/07272117312D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C6H6Br6

>  <MolWeight> (888)
557.53584

>  <Cat> (888)
S5902

>  <Name> (888)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (888)
NSC7908

>  <Target> (888)
JAK

>  <Form> (888)
Free Base

>  <CAS> (888)
1837-91-8

>  <URL> (888)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/07272117312D

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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C16H15N3O3

>  <MolWeight> (889)
297.3086

>  <Cat> (889)
S5903

>  <Name> (889)
JANEX-1

>  <Synonyms> (889)
WHI-P131

>  <Target> (889)
JAK

>  <Form> (889)
Free Base

>  <CAS> (889)
202475-60-3

>  <URL> (889)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C16H13Br2N3O3

>  <MolWeight> (890)
455.10072

>  <Cat> (890)
S5904

>  <Name> (890)
WHI-P97

>  <Synonyms> (890)
N/A

>  <Target> (890)
JAK

>  <Form> (890)
Free Base

>  <CAS> (890)
211555-05-4

>  <URL> (890)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/07272117312D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C22H23N5O2

>  <MolWeight> (891)
389.45032

>  <Cat> (891)
S5917

>  <Name> (891)
Solcitinib

>  <Synonyms> (891)
GLPG0778, GSK2586184

>  <Target> (891)
JAK

>  <Form> (891)
Free Base

>  <CAS> (891)
1206163-45-2

>  <URL> (891)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/07272117312D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1249    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2752    2.8237    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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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 14  1  0  0  0  0
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  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (892)
892

>  <Formula> (892)
C19H33NO2

>  <MolWeight> (892)
307.47082

>  <Cat> (892)
S5950

>  <Name> (892)
Fingolimod

>  <Form> (892)
Free Base

>  <CAS> (892)
162359-55-9

$$$$

csChFnd80/07272117312D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.7472    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9596    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1721    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5348    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 17 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C17H16N4O2S2

>  <MolWeight> (893)
372.46454

>  <Cat> (893)
S7302

>  <Name> (893)
TEPP-46 (ML265, CID-44246499, NCGC00186528)

>  <Synonyms> (893)
N/A

>  <Target> (893)
PKM

>  <Form> (893)
Free Base

>  <CAS> (893)
1221186-53-3

>  <URL> (893)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/07272117312D

 38 43  0  0  0  0  0  0  0  0999 V2000
    2.6082    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (894)
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>  <Formula> (894)
C25H21F3N6O3S

>  <MolWeight> (894)
542.5328496

>  <Cat> (894)
S7965

>  <Name> (894)
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>  <Synonyms> (894)
N/A

>  <Target> (894)
Raf

>  <Form> (894)
Free Base

>  <CAS> (894)
1393466-87-9

>  <URL> (894)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C16H20BrN5O

>  <MolWeight> (895)
378.2669

>  <Cat> (895)
S8526

>  <Name> (895)
GDC-0575 (ARRY-575, RG7741)

>  <Synonyms> (895)
N/A

>  <Target> (895)
Chk

>  <Form> (895)
Free Base

>  <CAS> (895)
1196541-47-5

>  <URL> (895)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C24H28N4O3

>  <MolWeight> (896)
420.50412

>  <Cat> (896)
S8556

>  <Name> (896)
AZ31

>  <Synonyms> (896)
N/A

>  <Target> (896)
ATM/ATR

>  <Form> (896)
Free Base

>  <CAS> (896)
2088113-98-6

>  <URL> (896)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (897)
897

>  <Formula> (897)
C23H14ClF3N6O

>  <MolWeight> (897)
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>  <Cat> (897)
S8560

>  <Name> (897)
Seletalisib (UCB-5857)

>  <Synonyms> (897)
N/A

>  <Target> (897)
PI3K

>  <Form> (897)
Free Base

>  <CAS> (897)
1362850-20-1

>  <URL> (897)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

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   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
  9 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
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C29H29FN4O

>  <MolWeight> (898)
468.5651632

>  <Cat> (898)
S8609

>  <Name> (898)
Derazantinib(ARQ-087)

>  <Synonyms> (898)
N/A

>  <Target> (898)
FGFR

>  <Form> (898)
Free Base

>  <CAS> (898)
1234356-69-4

>  <URL> (898)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5988    4.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    5.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5201    6.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C13H12ClN3O2

>  <MolWeight> (899)
277.70628

>  <Cat> (899)
S8641

>  <Name> (899)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (899)
Necrostatin-1 stable

>  <Target> (899)
TNF-alpha

>  <Form> (899)
Free Base

>  <CAS> (899)
852391-15-2

>  <URL> (899)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/07272117312D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C24H18ClN3O3

>  <MolWeight> (900)
431.87102

>  <Cat> (900)
S8654

>  <Name> (900)
ex229 (compound 991)

>  <Synonyms> (900)
N/A

>  <Target> (900)
AMPK

>  <Form> (900)
Free Base

>  <CAS> (900)
1219739-36-2

>  <URL> (900)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/07272117312D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4932   10.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    8.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0146    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4787    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C24H23FN8O2

>  <MolWeight> (901)
474.4902232

>  <Cat> (901)
S8679

>  <Name> (901)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (901)
N/A

>  <Target> (901)
BTK

>  <Form> (901)
Free Base

>  <CAS> (901)
2230724-66-8

>  <URL> (901)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    5.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5208    7.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3084    8.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    7.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9368    8.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8581    6.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    2.7765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C14H11ClN4S2

>  <MolWeight> (902)
334.84694

>  <Cat> (902)
S8700

>  <Name> (902)
TP0427736 HCl

>  <Synonyms> (902)
N/A

>  <Target> (902)
ALK

>  <Form> (902)
hydrochloride

>  <CAS> (902)
864374-00-5

>  <URL> (902)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/07272117312D

 36 39  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  8  1  0  0  0  0
  5  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
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
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 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C28H30FN3O4

>  <MolWeight> (903)
491.5539032

>  <Cat> (903)
S8723

>  <Name> (903)
ABBV-744

>  <Synonyms> (903)
N/A

>  <Target> (903)
Epigenetic Reader Do

>  <Form> (903)
Free Base

>  <CAS> (903)
2138861-99-9

>  <URL> (903)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/07272117312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C18H18FN5O2S

>  <MolWeight> (904)
387.4312232

>  <Cat> (904)
S8727

>  <Name> (904)
Atuveciclib (BAY-1143572)

>  <Synonyms> (904)
N/A

>  <Target> (904)
CDK

>  <Form> (904)
Free Base

>  <CAS> (904)
1414943-88-6

>  <URL> (904)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/07272117312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 16  1  0  0  0  0
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M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C20H16N4O

>  <MolWeight> (905)
328.36724

>  <Cat> (905)
S8729

>  <Name> (905)
AZ32

>  <Synonyms> (905)
N/A

>  <Target> (905)
ATM/ATR

>  <Form> (905)
Free Base

>  <CAS> (905)
No CAS

>  <URL> (905)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/07272117312D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 19  7  1  0  0  0  0
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C17H20F3N7O2

>  <MolWeight> (906)
411.3816096

>  <Cat> (906)
S8738

>  <Name> (906)
Bimiralisib (PQR309)

>  <Synonyms> (906)
N/A

>  <Target> (906)
PI3K

>  <Form> (906)
Free Base

>  <CAS> (906)
1225037-39-7

>  <URL> (906)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/07272117312D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
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 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C26H26FN7O2

>  <MolWeight> (907)
487.5287432

>  <Cat> (907)
S8741

>  <Name> (907)
Avitinib (AC0010)

>  <Synonyms> (907)
N/A

>  <Target> (907)
EGFR

>  <Form> (907)
Free Base

>  <CAS> (907)
1557267-42-1

>  <URL> (907)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/07272117312D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  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
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14 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
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C25H25F3N4O4

>  <MolWeight> (908)
502.4856096

>  <Cat> (908)
S8745

>  <Name> (908)
LXH254

>  <Synonyms> (908)
N/A

>  <Target> (908)
Raf

>  <Form> (908)
Free Base

>  <CAS> (908)
1800398-38-2

>  <URL> (908)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/07272117312D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 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  8  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 16  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (909)
909

>  <Formula> (909)
C22H18N4

>  <MolWeight> (909)
338.40512

>  <Cat> (909)
S8749

>  <Name> (909)
MBQ-167

>  <Synonyms> (909)
N/A

>  <Target> (909)
Rho

>  <Form> (909)
Free Base

>  <CAS> (909)
2097938-73-1

>  <URL> (909)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/07272117312D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 13  8  1  0  0  0  0
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 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C21H25F3N6O2

>  <MolWeight> (910)
450.4574096

>  <Cat> (910)
S8752

>  <Name> (910)
leniolisib(CDZ 173)

>  <Synonyms> (910)
N/A

>  <Target> (910)
PI3K

>  <Form> (910)
Free Base

>  <CAS> (910)
1354690-24-6

>  <URL> (910)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/07272117312D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   10.8909    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 11  1  0  0  0  0
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 11 22  2  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 11  1  0  0  0  0
 27 28  1  0  0  0  0
 27 20  1  0  0  0  0
 27 29  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C19H15N3O6S

>  <MolWeight> (911)
413.4039

>  <Cat> (911)
S8754

>  <Name> (911)
Alofanib(RPT835)

>  <Synonyms> (911)
N/A

>  <Target> (911)
FGFR

>  <Form> (911)
Free Base

>  <CAS> (911)
1612888-66-0

>  <URL> (911)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/07272117312D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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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  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
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M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C24H21BrFN5O2

>  <MolWeight> (912)
510.3582432

>  <Cat> (912)
S8757

>  <Name> (912)
Ripretinib (DCC-2618)

>  <Synonyms> (912)
N/A

>  <Target> (912)
c-Kit

>  <Form> (912)
Free Base

>  <CAS> (912)
1442472-39-0

>  <URL> (912)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/07272117312D

 36 41  0  0  0  0  0  0  0  0999 V2000
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   18.8650    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  7  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 31 27  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (913)
913

>  <Formula> (913)
C26H23FN8O

>  <MolWeight> (913)
482.5122232

>  <Cat> (913)
S8764

>  <Name> (913)
IITZ-01

>  <Synonyms> (913)
N/A

>  <Target> (913)
Autophagy

>  <Form> (913)
Free Base

>  <CAS> (913)
1807988-47-1

>  <URL> (913)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/07272117312D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (914)
914

>  <Formula> (914)
C36H62O8

>  <MolWeight> (914)
622.87268

>  <Cat> (914)
S9023

>  <Name> (914)
20S-Ginsenoside Rh2

>  <Form> (914)
free base

>  <CAS> (914)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/07272117312D

 46 50  0  0  0  0  0  0  0  0999 V2000
   12.1266    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (915)
915

>  <Formula> (915)
C38H46O8

>  <MolWeight> (915)
630.76704

>  <Cat> (915)
S9031

>  <Name> (915)
Gambogenic acid

>  <Form> (915)
free base

>  <CAS> (915)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/07272117312D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6371    2.1020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C15H22O

>  <MolWeight> (916)
218.33458

>  <Cat> (916)
S9071

>  <Name> (916)
Nootkatone

>  <Form> (916)
free base

>  <CAS> (916)
4674-50-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C26H32O14

>  <MolWeight> (917)
568.52388

>  <Cat> (917)
S9075

>  <Name> (917)
Mulberroside A

>  <Form> (917)
free base

>  <CAS> (917)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/07272117312D

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Anhydroicaritin

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free base

>  <CAS> (918)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/07272117312D

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919

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S9084

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Rhoifolin

>  <Form> (919)
free base

>  <CAS> (919)
17306-46-6

$$$$
S9092 Norisoboldine.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (920)
920

>  <Formula> (920)
C18H19NO4

>  <MolWeight> (920)
313.34776

>  <Cat> (920)
S9092

>  <Name> (920)
Norisoboldine

>  <Form> (920)
free base

>  <CAS> (920)
23599-69-1

$$$$
S9100 Fraxinellone.cdx
csChFnd80/07272117312D

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921

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>  <MolWeight> (921)
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>  <Cat> (921)
S9100

>  <Name> (921)
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>  <Form> (921)
free base

>  <CAS> (921)
28808-62-0

$$$$

csChFnd80/07272117312D

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922

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>  <Cat> (922)
S9101

>  <Name> (922)
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>  <Form> (922)
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>  <CAS> (922)
30220-46-3

$$$$
S9102 Magnolin.cdx
csChFnd80/07272117312D

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>  <CAS> (923)
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>  <Name> (924)
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$$$$
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>  <MolWeight> (925)
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>  <Cat> (925)
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>  <Name> (925)
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>  <Form> (925)
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>  <CAS> (925)
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482-38-2

$$$$
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>  <Formula> (927)
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>  <MolWeight> (927)
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>  <Cat> (927)
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>  <Name> (927)
Polyphyllin I

>  <Form> (927)
free base

>  <CAS> (927)
50773-41-6

$$$$
S9118 Beta-Asarone.cdx
csChFnd80/07272117312D

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>  <MolWeight> (928)
208.25364

>  <Cat> (928)
S9118

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free base

>  <CAS> (928)
5273-86-9

$$$$
S9120 Scutellarein.cdx
csChFnd80/07272117312D

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>  <Cat> (929)
S9120

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529-53-3

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csChFnd80/07272117312D

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M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C20H26O4

>  <MolWeight> (930)
330.41804

>  <Cat> (930)
S9127

>  <Name> (930)
Carnosol

>  <Form> (930)
free base

>  <CAS> (930)
5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (931)
931

>  <Formula> (931)
C37H40N2O6

>  <MolWeight> (931)
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>  <Cat> (931)
S9141

>  <Name> (931)
Berbamine

>  <Form> (931)
free base

>  <CAS> (931)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (932)
932

>  <Formula> (932)
C20H18NO4+

>  <MolWeight> (932)
336.36122

>  <Cat> (932)
S9152

>  <Name> (932)
Epiberberine

>  <Form> (932)
free base

>  <CAS> (932)
1816598

$$$$
S9159 Momordin Ic.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (933)
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>  <Cat> (933)
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Momordin Ic

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free base

>  <CAS> (933)
96990-18-0

$$$$
S9162 Rubimaillin.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C17H16O4

>  <MolWeight> (934)
284.30654

>  <Cat> (934)
S9162

>  <Name> (934)
Rubimaillin

>  <CAS> (934)
55481-88-4

$$$$
S9172 Phellodendrine.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (935)
935

>  <Formula> (935)
C20H24NO4+

>  <MolWeight> (935)
342.40886

>  <Cat> (935)
S9172

>  <Name> (935)
Phellodendrine

>  <Form> (935)
free base

>  <CAS> (935)
6873-13-8

$$$$
S9184 Forsythoside B.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (936)
936

>  <Formula> (936)
C34H44O19

>  <MolWeight> (936)
756.70176

>  <Cat> (936)
S9184

>  <Name> (936)
Forsythoside B

>  <Form> (936)
free base

>  <CAS> (936)
81525-13-5

$$$$
S9190 Oroxin B.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C27H30O15

>  <MolWeight> (937)
594.5181

>  <Cat> (937)
S9190

>  <Name> (937)
Oroxin B

>  <Form> (937)
free base

>  <CAS> (937)
114482-86-9

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C16H11N3O2

>  <MolWeight> (938)
277.27744

>  <Cat> (938)
S2009

>  <Name> (938)
Indirubin-3'-monoxime

>  <Synonyms> (938)
Indirubin-3'-oxime

>  <Target> (938)
CDK

>  <Form> (938)
Free Base

>  <CAS> (938)
160807-49-8

>  <URL> (938)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C20H20N4O3S

>  <MolWeight> (939)
396.4628

>  <Cat> (939)
S2039

>  <Name> (939)
IRAK inhibitor 6

>  <Synonyms> (939)
N/A

>  <Target> (939)
IL Receptor

>  <Form> (939)
Free Base

>  <CAS> (939)
1042672-97-8

>  <URL> (939)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (940)
940

>  <Formula> (940)
C32H38O19

>  <MolWeight> (940)
726.63272

>  <Cat> (940)
S9230

>  <Name> (940)
Vaccarin

>  <Form> (940)
free base

>  <CAS> (940)
53452-16-7

$$$$
S9240 Isofraxidin.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (941)
941

>  <Formula> (941)
C11H10O5

>  <MolWeight> (941)
222.1941

>  <Cat> (941)
S9240

>  <Name> (941)
Isofraxidin

>  <Form> (941)
free base

>  <CAS> (941)
486-21-5

$$$$
S9242 Narirutin.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (942)
942

>  <Formula> (942)
C27H32O14

>  <MolWeight> (942)
580.53458

>  <Cat> (942)
S9242

>  <Name> (942)
Narirutin

>  <Form> (942)
free base

>  <CAS> (942)
14259-46-2

$$$$
S9275 Isoguanosine.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (943)
943

>  <Formula> (943)
C10H13N5O5

>  <MolWeight> (943)
283.24072

>  <Cat> (943)
S9275

>  <Name> (943)
Isoguanosine

>  <Form> (943)
free base

>  <CAS> (943)
1818-71-9

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (944)
944

>  <Formula> (944)
C19H21N3O2S

>  <MolWeight> (944)
355.45394

>  <Cat> (944)
S2070

>  <Name> (944)
ISCK03

>  <Synonyms> (944)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (944)
c-Kit

>  <Form> (944)
Free Base

>  <CAS> (944)
945526-43-2

>  <URL> (944)
http://www.selleck.cn/products/isck03.html

$$$$
S9288 Casticin.cdx
csChFnd80/07272117312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (945)
945

>  <Formula> (945)
C19H18O8

>  <MolWeight> (945)
374.34142

>  <Cat> (945)
S9288

>  <Name> (945)
Casticin

>  <Form> (945)
free base

>  <CAS> (945)
479-91-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/07272117312D

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 13  6  1  0  0  0  0
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 10  7  1  0  0  0  0
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 12 10  2  0  0  0  0
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 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C15H20O2

>  <MolWeight> (946)
232.3181

>  <Cat> (946)
S9314

>  <Name> (946)
Atractylenolide II

>  <Form> (946)
free base

>  <CAS> (946)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/07272117312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (947)
947

>  <Formula> (947)
C21H22O7

>  <MolWeight> (947)
386.39518

>  <Cat> (947)
S9315

>  <Name> (947)
Praeruptorin A

>  <Form> (947)
free base

>  <CAS> (947)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/07272117312D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6428    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (948)
948

>  <Formula> (948)
C9H6O3

>  <MolWeight> (948)
162.14214

>  <Cat> (948)
S5548

>  <Name> (948)
7-Hydroxy-4-chromone

>  <Target> (948)
Src

>  <Form> (948)
free base

>  <CAS> (948)
59887-89-7

>  <URL> (948)
http://selleckchem.com/products/.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/07272117312D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (949)
949

>  <Formula> (949)
C14H28O2

>  <MolWeight> (949)
228.37092

>  <Cat> (949)
S5617

>  <Name> (949)
Myristic Acid

>  <Form> (949)
free base

>  <CAS> (949)
544-63-8

$$$$
S9041 Corosolic acid.cdx
csChFnd80/07272117312D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 31  9  1  0  0  0  0
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M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C30H48O4

>  <MolWeight> (950)
472.69972

>  <Cat> (950)
S9041

>  <Name> (950)
Corosolic acid

>  <Form> (950)
free base

>  <CAS> (950)
4547-24-4

$$$$
S9035 Isovitexin.cdx
csChFnd80/07272117312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (951)
951

>  <Formula> (951)
C21H20O10

>  <MolWeight> (951)
432.3775

>  <Cat> (951)
S9035

>  <Name> (951)
Isovitexin

>  <Form> (951)
free base

>  <CAS> (951)
29702-25-8

$$$$
S9042 Wedelolactone.cdx
csChFnd80/07272117312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (952)
952

>  <Formula> (952)
C16H10O7

>  <MolWeight> (952)
314.2464

>  <Cat> (952)
S9042

>  <Name> (952)
Wedelolactone

>  <Form> (952)
free base

>  <CAS> (952)
524-12-9

$$$$
S9022 20S-Ginsenoside Rg3.cdx
csChFnd80/07272117312D

 59 64  0  0  0  0  0  0  0  0999 V2000
   14.9481    8.4885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
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 23  9  1  0  0  0  0
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M  END
>  <Mol_ID> (953)
953

>  <Formula> (953)
C42H72O13

>  <MolWeight> (953)
785.01328

>  <Cat> (953)
S9022

>  <Name> (953)
20S-Ginsenoside Rg3

>  <Form> (953)
free base

>  <CAS> (953)
14197-60-5

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8412    3.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C15H8O4

>  <MolWeight> (954)
252.22162

>  <Cat> (954)
S9359

>  <Name> (954)
Anthraquinone-2-carboxylic Acid

>  <Form> (954)
free base

>  <CAS> (954)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/07272117312D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4385    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C10H12O

>  <MolWeight> (955)
148.20168

>  <Cat> (955)
S9376

>  <Name> (955)
Benzylacetone

>  <Form> (955)
free base

>  <CAS> (955)
2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C43H44ClFN4O11S3

>  <MolWeight> (956)
943.4760632

>  <Cat> (956)
S5241

>  <Name> (956)
Lapatinib ditosylate monohydrate

>  <Synonyms> (956)
Tykerb Ditosylate

>  <Target> (956)
Others

>  <Form> (956)
ditosylate monohydrate

>  <CAS> (956)
388082-78-8

>  <URL> (956)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (957)
957

>  <Formula> (957)
C22H27Cl2N7O2S

>  <MolWeight> (957)
524.46648

>  <Cat> (957)
S5254

>  <Name> (957)
Dasatinib hydrochloride

>  <Synonyms> (957)
BMS 354825 hydrochloride

>  <Target> (957)
Abl/Src

>  <Form> (957)
hydrochloride 

>  <CAS> (957)
854001-07-3

>  <URL> (957)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/07272117312D

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>  <Mol_ID> (958)
958

>  <Formula> (958)
C27H32F2N8

>  <MolWeight> (958)
506.5933864

>  <Cat> (958)
S5716

>  <Name> (958)
Abemaciclib

>  <Synonyms> (958)
LY2835219

>  <Target> (958)
CDK

>  <Form> (958)
free base

>  <CAS> (958)
1231929-97-7 

>  <URL> (958)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/07272117312D

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    6.0620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6  4  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  3 10  1  0  0  0  0
  2 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 16 25  2  0  0  0  0
 20 25  1  0  0  0  0
 26 27  1  0  0  0  0
 23 26  1  0  0  0  0
 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
 15 19  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C21H19N3O5

>  <MolWeight> (959)
393.39266

>  <Cat> (959)
S5667

>  <Name> (959)
Fruquintinib

>  <Target> (959)
VEGFRs

>  <CAS> (959)
1194506-26-7

>  <URL> (959)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/07272117312D

 42 44  0  0  0  0  0  0  0  0999 V2000
    2.2264    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6513    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8637    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    8.4544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8020    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7134    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1383    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8637    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2886    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3465    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9589    9.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    5.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    7.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7800    5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  9 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  9  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C29H37N7O5S

>  <MolWeight> (960)
595.71298

>  <Cat> (960)
S5078

>  <Name> (960)
Osimertinib mesylate

>  <Synonyms> (960)
AZD9291 mesylate

>  <Target> (960)
EGFR

>  <Form> (960)
mesylate

>  <CAS> (960)
1421373-66-1

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

$$$$

csChFnd80/07272117312D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.2159    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6409    4.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848    4.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1848    1.9505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0077    3.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1078    4.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1077    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5077    1.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2077    0.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077    0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3077    1.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6078    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2078    3.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5078    4.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3080    4.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7080    4.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160    5.5426    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  6  7  2  0  0  0  0
 14 15  1  0  0  0  0
  7 12  1  0  0  0  0
 15 16  2  0  0  0  0
  1  2  1  0  0  0  0
 15 17  1  0  0  0  0
 11  8  1  0  0  0  0
 17 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 19  2  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
  9  6  1  0  0  0  0
 20 21  2  0  0  0  0
 11 12  2  0  0  0  0
 21 22  1  0  0  0  0
  4  5  2  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
  5  1  1  0  0  0  0
 23 24  1  0  0  0  0
  2  3  2  0  0  0  0
 22 25  1  0  0  0  0
  1  6  1  0  0  0  0
 25 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
>  <Mol_ID> (961)
961

>  <Formula> (961)
C19H17N4NaO2S

>  <MolWeight> (961)
388.41865

>  <Cat> (961)
S5502

>  <Name> (961)
Ilaprazole sodium

>  <Synonyms> (961)
IY-81149 sodium

>  <Target> (961)
Proton Pump

>  <Form> (961)
Sodium Salt

>  <CAS> (961)
172152-50-0

>  <URL> (961)
http://www.selleckchem.com/products/iiaprazole-sodium.html

$$$$

csChFnd80/07272117312D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    6.4294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (962)
962

>  <Formula> (962)
C16H21Cl2N3

>  <MolWeight> (962)
326.26404

>  <Cat> (962)
S5670

>  <Name> (962)
Chloropyramine hydrochloride

>  <Synonyms> (962)
Halopyramine hydrochloride

>  <Target> (962)
Histamine Receptor

>  <Form> (962)
hydrochloride

>  <CAS> (962)
6170-42-9

>  <URL> (962)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/07272117312D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4136    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    2.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261    0.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8166    3.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1549    4.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1466    2.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3688    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0652    4.9234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4659    4.9234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0674    2.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1614    3.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5613    3.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2658    4.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5704    6.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1704    6.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6610    4.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3597    3.6919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4496    2.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7450    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3450    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6497    2.4788    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
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638156-11-3

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VEGFR

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453562-69-1

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Free Base

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1898283-02-7

>  <URL> (967)
http://www.selleckchem.com/products/ly3200882.html

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csChFnd80/07272117312D

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968

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C24H24N4O

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2158197-70-5

>  <URL> (968)
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969

>  <Formula> (969)
C25H27N5O2

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>  <Synonyms> (969)
M-2951, MSC-2364447C

>  <Target> (969)
BTK

>  <Form> (969)
Free Base

>  <CAS> (969)
1415823-73-2

>  <URL> (969)
http://www.selleckchem.com/products/evobrutinib.html

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970

>  <Formula> (970)
C22H21F3N6O2

>  <MolWeight> (970)
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>  <Cat> (970)
S8801

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>  <Synonyms> (970)
N/A

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ERK

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Free Base

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1621999-82-3

>  <URL> (970)
http://www.selleckchem.com/products/cc-90003.html

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1219737-12-8

>  <URL> (971)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/07272117312D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    9.6994    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  7 21  1  0  0  0  0
  5 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
 27 44  1  1  0  0  0
 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (972)
972

>  <Formula> (972)
C28H32O16

>  <MolWeight> (972)
624.54408

>  <Cat> (972)
S9455

>  <Name> (972)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (972)
N/A

>  <Target> (972)
Others

>  <Form> (972)
Free Base

>  <CAS> (972)
55033-90-4

>  <URL> (972)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/07272117312D

 38 42  0  0  0  0  0  0  0  0999 V2000
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    6.1465    3.4678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6974    2.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
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 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
  7  4  1  0  0  0  0
 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
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M  END
>  <Mol_ID> (973)
973

>  <Formula> (973)
C30H48O5

>  <MolWeight> (973)
488.69912

>  <Cat> (973)
S9514

>  <Name> (973)
Rotundic acid

>  <Synonyms> (973)
Rutundic acid

>  <Target> (973)
Others

>  <Form> (973)
Free Base

>  <CAS> (973)
20137-37-5

>  <URL> (973)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 12  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (974)
974

>  <Formula> (974)
C17H16O5

>  <MolWeight> (974)
300.30594

>  <Cat> (974)
S9552

>  <Name> (974)
Farrerol

>  <Synonyms> (974)
N/A

>  <Target> (974)
Others

>  <Form> (974)
Free Base

>  <CAS> (974)
24211-30-1

>  <URL> (974)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/07272117312D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (975)
975

>  <Formula> (975)
C10H10O2

>  <MolWeight> (975)
162.1852

>  <Cat> (975)
S6221

>  <Name> (975)
Methyl cinnamate

>  <Synonyms> (975)
N/A

>  <Target> (975)
Others

>  <Form> (975)
free base

>  <CAS> (975)
103-26-4

>  <URL> (975)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/07272117312D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (976)
976

>  <Formula> (976)
C7H9N5

>  <MolWeight> (976)
163.17986

>  <Cat> (976)
S6088

>  <Name> (976)
6-(Dimethylamino)purine

>  <Synonyms> (976)
N,N-Dimethyladenine

>  <Target> (976)
Serine/threonin kina

>  <Form> (976)
free base

>  <CAS> (976)
938-55-6

>  <URL> (976)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/07272117312D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (977)
977

>  <Formula> (977)
C9H10O4

>  <MolWeight> (977)
182.1733

>  <Cat> (977)
S6338

>  <Name> (977)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (977)
Dihydrocaffeic acid

>  <Target> (977)
Others

>  <Form> (977)
free base

>  <CAS> (977)
1078-61-1

>  <URL> (977)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/07272117312D

 38 43  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 11  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  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
 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <Mol_ID> (978)
978

>  <Formula> (978)
C25H23FN8O2S2

>  <MolWeight> (978)
550.6309232

>  <Cat> (978)
S7564

>  <Name> (978)
SAR125844

>  <Synonyms> (978)
N/A

>  <Target> (978)
c-Met

>  <Form> (978)
free base

>  <CAS> (978)
1116743-46-4

>  <URL> (978)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 15 12  1  0  0  0  0
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M  END
>  <Mol_ID> (979)
979

>  <Formula> (979)
C14H21N5O2S

>  <MolWeight> (979)
323.41384

>  <Cat> (979)
S8765

>  <Name> (979)
PF-04965842

>  <Synonyms> (979)
N/A

>  <Target> (979)
JAK

>  <Form> (979)
free base

>  <CAS> (979)
1622902-68-4

>  <URL> (979)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (980)
980

>  <Formula> (980)
C24H26FN7O3

>  <MolWeight> (980)
479.5067432

>  <Cat> (980)
S8780

>  <Name> (980)
AZD3229

>  <Synonyms> (980)
N/A

>  <Target> (980)
c-Kit

>  <Form> (980)
free base

>  <CAS> (980)
2248003-60-1

>  <URL> (980)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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Autophagy

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free base

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1462249-75-7

>  <URL> (981)
http://www.selleck.cn/products/pfk158.html

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982

>  <Formula> (982)
C27H24F3N5O2

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507.5069696

>  <Cat> (982)
S8810

>  <Name> (982)
SPHINX31

>  <Synonyms> (982)
N/A

>  <Target> (982)
Serine/threonin kina

>  <Form> (982)
free base

>  <CAS> (982)
1818389-84-2

>  <URL> (982)
http://www.selleck.cn/products/sphinx31.html

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csChFnd80/07272117312D

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>  <Mol_ID> (983)
983

>  <Formula> (983)
C21H19ClNO4+

>  <MolWeight> (983)
384.83286

>  <Cat> (983)
S1292

>  <Name> (983)
Chelerythrine Chloride

>  <Synonyms> (983)
N/A

>  <Target> (983)
PKC

>  <Form> (983)
Chloride

>  <CAS> (983)
3895-92-9

>  <URL> (983)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

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>  <Mol_ID> (984)
984

>  <Formula> (984)
C26H31Cl2N7O3

>  <MolWeight> (984)
560.47544

>  <Cat> (984)
S2183

>  <Name> (984)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (984)
N/A

>  <Target> (984)
FGFR

>  <Form> (984)
Free Base

>  <CAS> (984)
872511-34-7

>  <URL> (984)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

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1899921-05-1

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http://www.selleck.cn/products/hs-10296.html

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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 22  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C19H17N3O

>  <MolWeight> (989)
303.35778

>  <Cat> (989)
S2382

>  <Name> (989)
Evodiamine

>  <Synonyms> (989)
Isoevodiamine

>  <Target> (989)
NF-¦ÊB

>  <Form> (989)
Free Base

>  <CAS> (989)
518-17-2

>  <URL> (989)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/07272117312D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 25  1  0  0  0  0
 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C23H21N5O3

>  <MolWeight> (990)
415.44454

>  <Cat> (990)
S2780

>  <Name> (990)
I-BET151 (GSK1210151A)

>  <Synonyms> (990)
N/A

>  <Target> (990)
Epigenetic Reader Do

>  <Form> (990)
Free Base

>  <CAS> (990)
1300031-49-5

>  <URL> (990)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/07272117312D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.0983    1.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (991)
991

>  <Formula> (991)
C7H9ClN2

>  <MolWeight> (991)
156.61276

>  <Cat> (991)
S4956

>  <Name> (991)
Benzamidine HCl

>  <Synonyms> (991)
N/A

>  <Target> (991)
Serine/threonin kina

>  <Form> (991)
HCl

>  <CAS> (991)
1670-14-0

>  <URL> (991)
http://www.selleck.cn/products/benzamidine-hcl.html

$$$$

csChFnd80/07272117312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
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 23 10  2  0  0  0  0
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 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
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 28 14  2  0  0  0  0
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 31 28  1  0  0  0  0
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M  END
>  <Mol_ID> (992)
992

>  <Formula> (992)
C23H26N6O2

>  <MolWeight> (992)
418.49154

>  <Cat> (992)
S6414

>  <Name> (992)
Apilimod

>  <Synonyms> (992)
STA-5326

>  <Target> (992)
PI3K

>  <Form> (992)
Free Base

>  <CAS> (992)
541550-19-0

>  <URL> (992)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/07272117312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  3  1  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
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
 12  9  1  1  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 22  2  0  0  0  0
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M  END
>  <Mol_ID> (993)
993

>  <Formula> (993)
C25H35N3O2

>  <MolWeight> (993)
409.5643

>  <Cat> (993)
S6418

>  <Name> (993)
PF 429242

>  <Synonyms> (993)
N/A

>  <Target> (993)
S1P Receptor

>  <Form> (993)
Free Base

>  <CAS> (993)
947303-87-9

>  <URL> (993)
http://www.selleck.cn/products/pf429242.html

$$$$

csChFnd80/07272117312D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (994)
994

>  <Formula> (994)
C23H19NO3

>  <MolWeight> (994)
357.40186

>  <Cat> (994)
S6424

>  <Name> (994)
TAS-301

>  <Synonyms> (994)
N/A

>  <Target> (994)
Others

>  <Form> (994)
Free Base

>  <CAS> (994)
193620-69-8

>  <URL> (994)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (995)
995

>  <Formula> (995)
C18H12CrN3O6

>  <MolWeight> (995)
418.30048

>  <Cat> (995)
S6443

>  <Name> (995)
Chromium picolinate

>  <Synonyms> (995)
N/A

>  <Target> (995)
Others

>  <Form> (995)
Free Base

>  <CAS> (995)
14639-25-9

>  <URL> (995)
http://www.selleck.cn/products/chromium-picolinate.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (996)
996

>  <Formula> (996)
C29H39ClN7O2P

>  <MolWeight> (996)
584.092421

>  <Cat> (996)
S8229

>  <Name> (996)
Brigatinib (AP26113)

>  <Synonyms> (996)
N/A

>  <Target> (996)
ALK

>  <Form> (996)
Free Base

>  <CAS> (996)
1197953-54-0

>  <URL> (996)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (997)
997

>  <Formula> (997)
C19H18N4O3

>  <MolWeight> (997)
350.37122

>  <Cat> (997)
S8684

>  <Name> (997)
Selective JAK3 inhibitor 1

>  <Synonyms> (997)
N/A

>  <Target> (997)
JAK

>  <Form> (997)
Free Base

>  <CAS> (997)
1443235-95-7

>  <URL> (997)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/07272117312D

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    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 23  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (998)
998

>  <Formula> (998)
C23H20FN7O

>  <MolWeight> (998)
429.4496032

>  <Cat> (998)
S8693

>  <Name> (998)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (998)
N/A

>  <Target> (998)
PI3K

>  <Form> (998)
Free Base

>  <CAS> (998)
2088525-31-7

>  <URL> (998)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (999)
999

>  <Formula> (999)
C37H41N9O3S

>  <MolWeight> (999)
691.84494

>  <Cat> (999)
S8701

>  <Name> (999)
MK-8353 (SCH900353)

>  <Synonyms> (999)
N/A

>  <Target> (999)
ERK

>  <Form> (999)
Free Base

>  <CAS> (999)
1184173-73-6

>  <URL> (999)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,000)
1000

>  <Formula> (1,000)
C19H16N4O3

>  <MolWeight> (1,000)
348.35534

>  <Cat> (1,000)
S8753

>  <Name> (1,000)
INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
Epigenetic Reader Do

>  <Form> (1,000)
Free Base

>  <CAS> (1,000)
1628607-64-6

>  <URL> (1,000)
http://www.selleck.cn/products/incb054329.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,001)
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CH7057288

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
Trk receptor

>  <Form> (1,001)
Free Base

>  <CAS> (1,001)
2095616-82-1

>  <URL> (1,001)
http://www.selleck.cn/products/ch7057288.html

$$$$

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>  <Mol_ID> (1,002)
1002

>  <Formula> (1,002)
C27H29N5O3

>  <MolWeight> (1,002)
471.55086

>  <Cat> (1,002)
S8791

>  <Name> (1,002)
Zanubrutinib (BGB-3111)

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
BTK

>  <Form> (1,002)
Free Base

>  <CAS> (1,002)
1691249-45-2

>  <URL> (1,002)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

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>  <Mol_ID> (1,003)
1003

>  <Formula> (1,003)
C22H16F4N4OS

>  <MolWeight> (1,003)
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>  <Cat> (1,003)
S8793

>  <Name> (1,003)
ULK-101

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
Autophagy

>  <Form> (1,003)
Free Base

>  <CAS> (1,003)
no cas

>  <URL> (1,003)
http://www.selleck.cn/products/ulk-101.html

$$$$

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>  <Mol_ID> (1,004)
1004

>  <Formula> (1,004)
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>  <MolWeight> (1,004)
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>  <Cat> (1,004)
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>  <Name> (1,004)
AZD1480

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
JAK

>  <Form> (1,004)
free base

>  <CAS> (1,004)
935666-88-9

>  <URL> (1,004)
http://www.selleck.cn/products/AZD1480.html

$$$$

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 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,005)
1005

>  <Formula> (1,005)
C26H21F3N4O4

>  <MolWeight> (1,005)
510.4645496

>  <Cat> (1,005)
S6412

>  <Name> (1,005)
Altiratinib

>  <Synonyms> (1,005)
DCC-2701

>  <Target> (1,005)
Trk receptor

>  <Form> (1,005)
free base

>  <CAS> (1,005)
1345847-93-9

>  <URL> (1,005)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/07272117312D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,006)
1006

>  <Formula> (1,006)
C12H12O2

>  <MolWeight> (1,006)
188.22248

>  <Cat> (1,006)
S6493

>  <Name> (1,006)
n-Butylidenephthalide

>  <Synonyms> (1,006)
N/A

>  <Target> (1,006)
Others

>  <Form> (1,006)
free base

>  <CAS> (1,006)
551-08-6

>  <URL> (1,006)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/07272117312D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  2  0  0  0  0
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 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,007)
1007

>  <Formula> (1,007)
C8H7BrO3

>  <MolWeight> (1,007)
231.04338

>  <Cat> (1,007)
S6495

>  <Name> (1,007)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
Others

>  <Form> (1,007)
free base

>  <CAS> (1,007)
20035-41-0

>  <URL> (1,007)
http://www.selleck.cn/products/6-bromo-2-hydroxy-3-methoxybenzaldehyde.html

$$$$

csChFnd80/07272117312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
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 10  1  2  0  0  0  0
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M  END
>  <Mol_ID> (1,008)
1008

>  <Formula> (1,008)
C24H38N2O4

>  <MolWeight> (1,008)
418.56952

>  <Cat> (1,008)
S6496

>  <Name> (1,008)
Genz-123346 free base

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
Others

>  <Form> (1,008)
free base

>  <CAS> (1,008)
491833-30-8

>  <URL> (1,008)
http://www.selleck.cn/products/genz-123346-free-base.html

$$$$

csChFnd80/07272117312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,009)
1009

>  <Formula> (1,009)
C13H13NO3S

>  <MolWeight> (1,009)
263.31222

>  <Cat> (1,009)
S6497

>  <Name> (1,009)
SMI-16a

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
Pim

>  <Form> (1,009)
free base

>  <CAS> (1,009)
587852-28-6

>  <URL> (1,009)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/07272117312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,010)
1010

>  <Formula> (1,010)
C19H14F3N3O3

>  <MolWeight> (1,010)
389.3279696

>  <Cat> (1,010)
S6498

>  <Name> (1,010)
T56-LIMKi

>  <Synonyms> (1,010)
N/A

>  <Target> (1,010)
Others

>  <Form> (1,010)
free base

>  <CAS> (1,010)
924473-59-6

>  <URL> (1,010)
http://www.selleck.cn/products/t56-limki.html

$$$$

csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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free base

>  <CAS> (1,015)
333745-53-2

>  <URL> (1,015)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/07272117312D

 37 40  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 18  1  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  6  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 29 36  1  0  0  0  0
 26 28  1  0  0  0  0
  3 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,016)
1016

>  <Formula> (1,016)
C25H25Cl2FN6O3

>  <MolWeight> (1,016)
547.4088032

>  <Cat> (1,016)
S6505

>  <Name> (1,016)
X-376

>  <Synonyms> (1,016)
N/A

>  <Target> (1,016)
ALK

>  <Form> (1,016)
free base

>  <CAS> (1,016)
1365267-27-1

>  <URL> (1,016)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/07272117312D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
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 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 16  2  0  0  0  0
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 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,017)
1017

>  <Formula> (1,017)
C16H15N3O2

>  <MolWeight> (1,017)
281.3092

>  <Cat> (1,017)
S6506

>  <Name> (1,017)
Compound 401

>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
DNA-PK

>  <Form> (1,017)
free base

>  <CAS> (1,017)
168425-64-7

>  <URL> (1,017)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/07272117312D

 36 37  0  0  0  0  0  0  0  0999 V2000
   12.7627    1.9478    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627    3.3478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    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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  6 12  1  0  0  0  0
 16 17  1  0  0  0  0
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 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 27  1  0  0  0  0
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 19 24  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,018)
1018

>  <Formula> (1,018)
C24H28ClN2O7PS

>  <MolWeight> (1,018)
554.980081

>  <Cat> (1,018)
S6507

>  <Name> (1,018)
KN-92 phosphate

>  <Synonyms> (1,018)
N/A

>  <Target> (1,018)
Others

>  <Form> (1,018)
phosphate

>  <CAS> (1,018)
1135280-28-2

>  <URL> (1,018)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/07272117312D

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.9492    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 20  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 29 30  1  0  0  0  0
 26 29  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,019)
1019

>  <Formula> (1,019)
C24H26N4O3S

>  <MolWeight> (1,019)
450.55324

>  <Cat> (1,019)
S6508

>  <Name> (1,019)
Mitapivat

>  <Synonyms> (1,019)
AG-348

>  <Target> (1,019)
PKM

>  <Form> (1,019)
free base

>  <CAS> (1,019)
1260075-17-9

>  <URL> (1,019)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/07272117312D

 22 22  0  0  0  0  0  0  0  0999 V2000
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   12.6052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4157    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    7.6838    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.4000   11.5535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5 10  1  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,020)
1020

>  <Formula> (1,020)
C14H19Cl2N3O2S

>  <MolWeight> (1,020)
364.29056

>  <Cat> (1,020)
S6510

>  <Name> (1,020)
Iso-H7 dihydrochloride

>  <Synonyms> (1,020)
N/A

>  <Target> (1,020)
Phosphorylase

>  <Form> (1,020)
dihydrochloride

>  <CAS> (1,020)
140663-38-3

>  <URL> (1,020)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/07272117312D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    2.8000    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9224    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1620    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1257    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3471    0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,021)
1021

>  <Formula> (1,021)
C13H19NO2

>  <MolWeight> (1,021)
221.29546

>  <Cat> (1,021)
S6511

>  <Name> (1,021)
RIPA-56

>  <Synonyms> (1,021)
N/A

>  <Target> (1,021)
TNF-alpha

>  <Form> (1,021)
free base

>  <CAS> (1,021)
1956370-21-0

>  <URL> (1,021)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/07272117312D

 21 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9135    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    5.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9151    6.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3415    6.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
  2 13  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,022)
1022

>  <Formula> (1,022)
C16H23NO4

>  <MolWeight> (1,022)
293.35812

>  <Cat> (1,022)
S6512

>  <Name> (1,022)
MHP

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
S1P Receptor

>  <Form> (1,022)
free base

>  <CAS> (1,022)
1104874-94-3

>  <URL> (1,022)
http://www.selleck.cn/products/defensamide.html

$$$$

csChFnd80/07272117312D

 38 43  0  0  0  0  0  0  0  0999 V2000
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   11.3063    5.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2532    0.9865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3533    9.8854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5531    8.2670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0531   10.6398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    4.3990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2864    3.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6486    5.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9341    3.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,023)
1023

>  <Formula> (1,023)
C29H34ClN7O

>  <MolWeight> (1,023)
532.07956

>  <Cat> (1,023)
S6513

>  <Name> (1,023)
HG-14-10-04

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
ALK

>  <Form> (1,023)
free base

>  <CAS> (1,023)
1356962-34-9

>  <URL> (1,023)
http://www.selleck.cn/products/hg-14-10-04.html

$$$$

csChFnd80/07272117312D

 34 38  0  0  0  0  0  0  0  0999 V2000
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18274-81-2

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Syk

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free base

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575474-82-7

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csChFnd80/07272117312D

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VEGFR

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211555-08-7

>  <URL> (1,027)
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21561-09-1

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947914-18-3

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M  END
>  <Mol_ID> (1,042)
1042

>  <Formula> (1,042)
C22H19N3O3

>  <MolWeight> (1,042)
373.40456

>  <Cat> (1,042)
S6567

>  <Name> (1,042)
Src Inhibitor 1

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
Src

>  <Form> (1,042)
free base

>  <CAS> (1,042)
179248-59-0

>  <URL> (1,042)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/07272117312D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,043)
1043

>  <Formula> (1,043)
C19H20N4O3

>  <MolWeight> (1,043)
352.3871

>  <Cat> (1,043)
S6571

>  <Name> (1,043)
BQR695

>  <Synonyms> (1,043)
NVP-BQR695

>  <Target> (1,043)
PI4K

>  <Form> (1,043)
free base

>  <CAS> (1,043)
1513879-21-4

>  <URL> (1,043)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3287    2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2654    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8327    4.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1442    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0251    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    8.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,044)
1044

>  <Formula> (1,044)
C22H18ClN5O2

>  <MolWeight> (1,044)
419.86362

>  <Cat> (1,044)
S6574

>  <Name> (1,044)
KDU691

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
PI4K

>  <Form> (1,044)
free base

>  <CAS> (1,044)
1513879-19-0

>  <URL> (1,044)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/07272117312D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
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 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,045)
1045

>  <Formula> (1,045)
C20H25F3N6O3

>  <MolWeight> (1,045)
454.4461096

>  <Cat> (1,045)
S6577

>  <Name> (1,045)
PKC-theta inhibitor

>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
PKC

>  <Form> (1,045)
free base

>  <CAS> (1,045)
736048-65-0

>  <URL> (1,045)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3132    0.7282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    1.8609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    4.1978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168    4.1979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2335    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2833    3.4956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 18  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,046)
1046

>  <Formula> (1,046)
C16H16F3N5

>  <MolWeight> (1,046)
335.3269496

>  <Cat> (1,046)
S6578

>  <Name> (1,046)
Longdaysin

>  <Synonyms> (1,046)
N/A

>  <Target> (1,046)
Casein Kinase

>  <Form> (1,046)
free base

>  <CAS> (1,046)
1353867-91-0

>  <URL> (1,046)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/07272117312D

 33 38  0  0  0  0  0  0  0  0999 V2000
    3.4240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1803    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1803    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6114    3.8595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0426    5.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Synonyms> (1,051)
N/A

>  <Target> (1,051)
Serine/threonin kina

>  <Form> (1,051)
free base

>  <CAS> (1,051)
2361659-62-1

>  <URL> (1,051)
http://www.selleck.cn/products/gsk8612.html

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1052

>  <Formula> (1,052)
C26H34N8O

>  <MolWeight> (1,052)
474.60116

>  <Cat> (1,052)
S8568

>  <Name> (1,052)
G1T38

>  <Synonyms> (1,052)
Lerociclib

>  <Target> (1,052)
CDK

>  <Form> (1,052)
free base

>  <CAS> (1,052)
1628256-23-4

>  <URL> (1,052)
http://www.selleck.cn/products/g1t38.html

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1053

>  <Formula> (1,053)
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>  <MolWeight> (1,053)
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S2934

>  <Name> (1,053)
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>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
ALK

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Dihydrochloride

>  <CAS> (1,053)
2137030-98-7

>  <URL> (1,053)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

$$$$

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1054

>  <Formula> (1,054)
C21H16F3N3O3

>  <MolWeight> (1,054)
415.3652496

>  <Cat> (1,054)
S6526

>  <Name> (1,054)
SKLB 610

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
VEGFR

>  <Form> (1,054)
Free Base

>  <CAS> (1,054)
1125780-41-7

>  <URL> (1,054)
http://www.selleck.cn/products/sklb610.html

$$$$

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CDK

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189232-42-6

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

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1064

>  <Formula> (1,064)
C22H21BrCl2N6O

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536.25174

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S6619

>  <Name> (1,064)
ABT 702 dihydrochloride

>  <Synonyms> (1,064)
N/A

>  <Target> (1,064)
Adenosine Receptor

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>  <CAS> (1,064)
1188890-28-9

>  <URL> (1,064)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

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csChFnd80/07272117312D

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1065

>  <Formula> (1,065)
C17H16N8

>  <MolWeight> (1,065)
332.36254

>  <Cat> (1,065)
S6623

>  <Name> (1,065)
APY29

>  <Synonyms> (1,065)
N/A

>  <Target> (1,065)
IRE1

>  <Form> (1,065)
Free Base

>  <CAS> (1,065)
1216665-49-4

>  <URL> (1,065)
http://www.selleck.cn/products/apy29.html

$$$$

csChFnd80/07272117312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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1066

>  <Formula> (1,066)
C18H13ClF2N6O

>  <MolWeight> (1,066)
402.7852264

>  <Cat> (1,066)
S6636

>  <Name> (1,066)
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>  <Synonyms> (1,066)
N/A

>  <Target> (1,066)
ROCK

>  <Form> (1,066)
Free Base

>  <CAS> (1,066)
867017-68-3

>  <URL> (1,066)
http://www.selleck.cn/products/azaindole-1.html

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csChFnd80/07272117312D

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>  <Mol_ID> (1,067)
1067

>  <Formula> (1,067)
C18H17BrN2O3

>  <MolWeight> (1,067)
389.24318

>  <Cat> (1,067)
S6710

>  <Name> (1,067)
SGC-GAK-1

>  <Synonyms> (1,067)
N/A

>  <Target> (1,067)
CDK

>  <Form> (1,067)
Free Base

>  <CAS> (1,067)
2226517-76-4

>  <URL> (1,067)
http://www.selleck.cn/products/sgc-gak-1.html

$$$$

csChFnd80/07272117312D

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1068

>  <Formula> (1,068)
C15H9N3O

>  <MolWeight> (1,068)
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M  END
>  <Mol_ID> (1,073)
1073

>  <Formula> (1,073)
C21H23ClFNO2

>  <MolWeight> (1,073)
375.8642232

>  <Cat> (1,073)
S6727

>  <Name> (1,073)
AX-024 HCl

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
CDK

>  <Form> (1,073)
Hydrochloride

>  <CAS> (1,073)
1704801-24-0

>  <URL> (1,073)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 30 28  1  0  0  0  0
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M  END
>  <Mol_ID> (1,074)
1074

>  <Formula> (1,074)
C22H25ClN6O

>  <MolWeight> (1,074)
424.9265

>  <Cat> (1,074)
S6730

>  <Name> (1,074)
CC-401 Hydrochloride

>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
JNK

>  <Form> (1,074)
Hydrochloride

>  <CAS> (1,074)
1438391-30-0

>  <URL> (1,074)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/07272117312D

 27 28  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,075)
1075

>  <Formula> (1,075)
C19H22Cl2FN5

>  <MolWeight> (1,075)
410.3158832

>  <Cat> (1,075)
S6734

>  <Name> (1,075)
PF-670462

>  <Synonyms> (1,075)
N/A

>  <Target> (1,075)
Casein Kinase

>  <Form> (1,075)
Free Base

>  <CAS> (1,075)
950912-80-8

>  <URL> (1,075)
http://www.selleck.cn/products/pf-670462.html

$$$$

csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,076)
1076

>  <Formula> (1,076)
C17H15N5O2

>  <MolWeight> (1,076)
321.3333

>  <Cat> (1,076)
S6740

>  <Name> (1,076)
DB07268

>  <Synonyms> (1,076)
N/A

>  <Target> (1,076)
JNK

>  <Form> (1,076)
Free Base

>  <CAS> (1,076)
929007-72-7

>  <URL> (1,076)
http://www.selleck.cn/products/db07268.html

$$$$

csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,077)
1077

>  <Formula> (1,077)
C16H17N3O2

>  <MolWeight> (1,077)
283.32508

>  <Cat> (1,077)
S6751

>  <Name> (1,077)
Brevianamide F

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
Others

>  <Form> (1,077)
Free Base

>  <CAS> (1,077)
38136-70-8

>  <URL> (1,077)
http://www.selleck.cn/products/brevianamide-f.html

$$$$

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 29 32  0  0  0  0  0  0  0  0999 V2000
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FGFR

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>  <CAS> (1,082)
1448169-71-8

>  <URL> (1,082)
http://www.selleck.cn/products/tas-120.html

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>  <MolWeight> (1,083)
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>  <Synonyms> (1,083)
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>  <Target> (1,083)
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1446113-23-0

>  <URL> (1,083)
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N/A

>  <Target> (1,084)
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>  <Form> (1,084)
Free Base

>  <CAS> (1,084)
1642288-47-8

>  <URL> (1,084)
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$$$$

csChFnd80/07272117312D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    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
    5.4014    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7076    3.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0770    3.4059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    4.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5728    5.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    5.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    1.7833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8790    5.0284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3117    6.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6811    6.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6178    5.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9873    5.9016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4199    7.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4831    8.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1137    7.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9157    9.6050    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1852    4.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1220    3.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,086)
1086

>  <Formula> (1,086)
C21H19F2N5O

>  <MolWeight> (1,086)
395.4052664

>  <Cat> (1,086)
S8874

>  <Name> (1,086)
PLX5622

>  <Synonyms> (1,086)
N/A

>  <Target> (1,086)
CSF-1R

>  <Form> (1,086)
Free Base

>  <CAS> (1,086)
1303420-67-8

>  <URL> (1,086)
http://www.selleck.cn/products/plx5622.html

$$$$

csChFnd80/07272117312D

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.2124   11.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622   10.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    5.7924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    6.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    8.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    9.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    9.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0532   11.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164   12.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470   11.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144   10.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5490   13.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9184   13.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3511   15.0061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7205   15.2972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4143   16.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1175    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3299    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7464    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9546    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,087)
1087

>  <Formula> (1,087)
C29H34FN5O5

>  <MolWeight> (1,087)
551.6091632

>  <Cat> (1,087)
S8901

>  <Name> (1,087)
DS-6051b

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
ROS

>  <Form> (1,087)
Free Base

>  <CAS> (1,087)
1505515-69-4

>  <URL> (1,087)
http://www.selleck.cn/products/ds-6051b.html

$$$$

csChFnd80/07272117312D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  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  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,088)
1088

>  <Formula> (1,088)
C21H25N3O4

>  <MolWeight> (1,088)
383.4409

>  <Cat> (1,088)
S2184

>  <Name> (1,088)
WDR5-0103

>  <Synonyms> (1,088)
WD-Repeat Protein 5-0103

>  <Target> (1,088)
Histone Methyltransferase

>  <Form> (1,088)
Free Base

>  <CAS> (1,088)
890190-22-4

>  <URL> (1,088)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/07272117312D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3996    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6119    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8245    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,089)
1089

>  <Formula> (1,089)
C18H37NO2

>  <MolWeight> (1,089)
299.49188

>  <Cat> (1,089)
S2210

>  <Name> (1,089)
Sphingosine

>  <Synonyms> (1,089)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,089)
Others

>  <Form> (1,089)
Free Base

>  <CAS> (1,089)
123-78-4

>  <URL> (1,089)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/07272117312D

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.9865    7.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993    7.2424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    5.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7752    5.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7752    7.2467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2328    4.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    3.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673    5.1385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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1191385-19-9

>  <URL> (1,094)
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FLT3

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>  <CAS> (1,095)
630124-46-8

>  <URL> (1,095)
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N/A

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Rho

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Free Base

>  <CAS> (1,096)
1922098-69-8

>  <URL> (1,096)
http://www.selleck.cn/products/ccg-222740.html

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303727-31-3

>  <URL> (1,097)
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C23H21N5O

>  <MolWeight> (1,098)
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>  <Cat> (1,098)
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>  <Name> (1,098)
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>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
Akt

>  <Form> (1,098)
Free Base

>  <CAS> (1,098)
1402608-02-9

>  <URL> (1,098)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,099)
1099

>  <Formula> (1,099)
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>  <MolWeight> (1,099)
505.5390464

>  <Cat> (1,099)
S8882

>  <Name> (1,099)
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>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
FGFR

>  <Form> (1,099)
Free Base

>  <CAS> (1,099)
1430723-35-5

>  <URL> (1,099)
http://www.selleck.cn/products/odm-203.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,100)
1100

>  <Formula> (1,100)
C21H23N4O7PS2

>  <MolWeight> (1,100)
538.533681

>  <Cat> (1,100)
S8927

>  <Name> (1,100)
GSK2983559 (compound 3)

>  <Synonyms> (1,100)
RIP2 kinase inhibitor 1,RIPK2-IN-1

>  <Target> (1,100)
RIP

>  <Form> (1,100)
Free Base

>  <CAS> (1,100)
1579965-12-0

>  <URL> (1,100)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

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M  END
>  <Mol_ID> (1,101)
1101

>  <Formula> (1,101)
C33H40O18

>  <MolWeight> (1,101)
724.6599

>  <Cat> (1,101)
S9096

>  <Name> (1,101)
ligustroflavone

>  <Synonyms> (1,101)
Nuezhenoside

>  <Target> (1,101)
AMPK

>  <Form> (1,101)
Free Base

>  <CAS> (1,101)
260413-62-5

>  <URL> (1,101)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,102)
1102

>  <Formula> (1,102)
C42H66O14

>  <MolWeight> (1,102)
794.96504

>  <Cat> (1,102)
S9116

>  <Name> (1,102)
Chikusetsusaponin Iva

>  <Synonyms> (1,102)
Calenduloside F

>  <Target> (1,102)
Immunology & Inflammation related

>  <Form> (1,102)
Free Base

>  <CAS> (1,102)
51415-02-2

>  <URL> (1,102)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/07272117312D

 59 64  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,103)
1103

>  <Formula> (1,103)
C42H72O13

>  <MolWeight> (1,103)
785.01328

>  <Cat> (1,103)
S9117

>  <Name> (1,103)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
Others

>  <Form> (1,103)
Free Base

>  <CAS> (1,103)
52286-74-5

>  <URL> (1,103)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

csChFnd80/07272117312D

 69 77  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,104)
1104

>  <Formula> (1,104)
C45H73NO15

>  <MolWeight> (1,104)
868.05882

>  <Cat> (1,104)
S9145

>  <Name> (1,104)
Solamargine

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
P-gp

>  <Form> (1,104)
Free Base

>  <CAS> (1,104)
20311-51-7

>  <URL> (1,104)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,105)
1105

>  <Formula> (1,105)
C32H42O16

>  <MolWeight> (1,105)
682.66628

>  <Cat> (1,105)
S9215

>  <Name> (1,105)
Pinoresinol diglucoside

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
Others

>  <Form> (1,105)
Free Base

>  <CAS> (1,105)
63902-38-5

>  <URL> (1,105)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

$$$$

csChFnd80/07272117312D

 39 43  0  0  0  0  0  0  0  0999 V2000
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882663-88-9

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31842-01-0

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2241300-51-4

>  <URL> (1,109)
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TAM Receptor

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1646839-59-9

>  <URL> (1,110)
http://www.selleckchem.com/products/ono-7475.html

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1111

>  <Formula> (1,111)
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>  <MolWeight> (1,111)
534.5140664

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>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
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>  <Form> (1,111)
Free Base

>  <CAS> (1,111)
1891087-61-8

>  <URL> (1,111)
http://www.selleckchem.com/products/bay-1816032.html

$$$$

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>  <Formula> (1,112)
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>  <Synonyms> (1,112)
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>  <Target> (1,112)
AMPK

>  <Form> (1,112)
Free Base

>  <CAS> (1,112)
1640294-30-9

>  <URL> (1,112)
http://www.selleckchem.com/products/asp4132.html

$$$$

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221243-82-9

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152121-53-4

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285986-31-4

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1888305-96-1

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M  END
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1122

>  <Formula> (1,122)
C15H10FNO

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N/A

>  <Target> (1,122)
VEGFR

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Free Base

>  <CAS> (1,122)
3476-86-6

>  <URL> (1,122)
http://www.selleckchem.com/products/su-5205.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,123)
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N/A

>  <Target> (1,123)
EGFR

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Free Base

>  <CAS> (1,123)
186611-04-1

>  <URL> (1,123)
http://www.selleckchem.com/products/su-5214.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,124)
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>  <Formula> (1,124)
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>  <MolWeight> (1,124)
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>  <Cat> (1,124)
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>  <Name> (1,124)
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>  <Synonyms> (1,124)
AP32788

>  <Target> (1,124)
EGFR

>  <Form> (1,124)
Free Base

>  <CAS> (1,124)
1847461-43-1

>  <URL> (1,124)
http://www.selleckchem.com/products/tak788.html

$$$$

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M  END
>  <Mol_ID> (1,125)
1125

>  <Formula> (1,125)
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>  <MolWeight> (1,125)
861.9282496

>  <Cat> (1,125)
S8888

>  <Name> (1,125)
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>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
PROTAC

>  <Form> (1,125)
Free Base

>  <CAS> (1,125)
no cas

>  <URL> (1,125)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/07272117312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,126)
1126

>  <Formula> (1,126)
C26H27N3O2

>  <MolWeight> (1,126)
413.51148

>  <Cat> (1,126)
S0118

>  <Name> (1,126)
SBC-1107326

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
PCSK9

>  <Form> (1,126)
Free Base

>  <CAS> (1,126)
1629166-02-4

>  <URL> (1,126)
http://www.selleckchem.com/products/sbc-1107326.html

$$$$

csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,127)
1127

>  <Formula> (1,127)
C21H18F3N5O

>  <MolWeight> (1,127)
413.3957296

>  <Cat> (1,127)
S0360

>  <Name> (1,127)
EGFR?Inhibitor

>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
EGFR

>  <Form> (1,127)
Free Base

>  <CAS> (1,127)
879127-07-8

>  <URL> (1,127)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/07272117312D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,128)
1128

>  <Formula> (1,128)
C26H34N6O3S

>  <MolWeight> (1,128)
510.65156

>  <Cat> (1,128)
S0391

>  <Name> (1,128)
TG-89

>  <Synonyms> (1,128)
N/A

>  <Target> (1,128)
JAK

>  <Form> (1,128)
Free Base

>  <CAS> (1,128)
936091-56-4

>  <URL> (1,128)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,129)
1129

>  <Formula> (1,129)
C24H28N6O3S

>  <MolWeight> (1,129)
480.58252

>  <Cat> (1,129)
S0487

>  <Name> (1,129)
Sulfatinib

>  <Synonyms> (1,129)
HMPL-012, Sufatinib, Surfatinib

>  <Target> (1,129)
CSF-1R

>  <Form> (1,129)
Free Base

>  <CAS> (1,129)
1308672-74-3

>  <URL> (1,129)
http://www.selleckchem.com/products/sulfatinib.html

$$$$

csChFnd80/07272117312D

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 10 18  1  0  0  0  0
  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,130)
1130

>  <Formula> (1,130)
C20H25ClN6O3

>  <MolWeight> (1,130)
432.9039

>  <Cat> (1,130)
S0500

>  <Name> (1,130)
Purvalanol B

>  <Synonyms> (1,130)
NG 95

>  <Target> (1,130)
CDK

>  <Form> (1,130)
Free Base

>  <CAS> (1,130)
212844-54-7

>  <URL> (1,130)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

$$$$

csChFnd80/07272117312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,131)
1131

>  <Formula> (1,131)
C14H10BrNOS

>  <MolWeight> (1,131)
320.2043

>  <Cat> (1,131)
S0523

>  <Name> (1,131)
SB?4

>  <Synonyms> (1,131)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,131)
TGF-beta/Smad

>  <Form> (1,131)
Free Base

>  <CAS> (1,131)
100874-08-6

>  <URL> (1,131)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/07272117312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,132)
1132

>  <Formula> (1,132)
C24H26N2O3S

>  <MolWeight> (1,132)
422.53984

>  <Cat> (1,132)
S6836

>  <Name> (1,132)
TH-257

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
LIM kinase

>  <Form> (1,132)
Free Base

>  <CAS> (1,132)
2244678-29-1

>  <URL> (1,132)
http://www.selleckchem.com/products/th-257.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,133)
1133

>  <Formula> (1,133)
C20H19ClN6O2

>  <MolWeight> (1,133)
410.85686

>  <Cat> (1,133)
S6837

>  <Name> (1,133)
R-10015

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
LIM kinase

>  <Form> (1,133)
Free Base

>  <CAS> (1,133)
2097938-51-5

>  <URL> (1,133)
http://www.selleckchem.com/products/r-10015.html

$$$$

csChFnd80/07272117312D

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M  END
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C23H26FN5O3

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>  <Cat> (1,134)
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>  <Name> (1,134)
Vorolanib

>  <Synonyms> (1,134)
CM082

>  <Target> (1,134)
VEGFR

>  <Form> (1,134)
Free Base

>  <CAS> (1,134)
1013920-15-4

>  <URL> (1,134)
http://www.selleckchem.com/products/vorolanib.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,135)
1135

>  <Formula> (1,135)
C24H24N4O5S

>  <MolWeight> (1,135)
480.53616

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S7688

>  <Name> (1,135)
Ki20227

>  <Synonyms> (1,135)
KI-20227

>  <Target> (1,135)
CSF-1R

>  <Form> (1,135)
Free Base

>  <CAS> (1,135)
623142-96-1

>  <URL> (1,135)
http://www.selleckchem.com/products/ki20227.html

$$$$

csChFnd80/07272117312D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,136)
1136

>  <Formula> (1,136)
C25H19N5S

>  <MolWeight> (1,136)
421.51686

>  <Cat> (1,136)
S7692

>  <Name> (1,136)
A-83-01

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
ALK

>  <Form> (1,136)
Free Base

>  <CAS> (1,136)
909910-43-6

>  <URL> (1,136)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/07272117312D

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1137

>  <Formula> (1,137)
C30H28O8

>  <MolWeight> (1,137)
516.53852

>  <Cat> (1,137)
S7862

>  <Name> (1,137)
Rottlerin

>  <Synonyms> (1,137)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (1,137)
PKC

>  <Form> (1,137)
Free Base

>  <CAS> (1,137)
82-08-6

>  <URL> (1,137)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/07272117312D

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csChFnd80/07272117312D

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free base

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2229036-62-6

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1513857-77-6

>  <URL> (1,146)
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>  <URL> (1,147)
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951151-97-6

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188343-77-3

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M  END
>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C19H11ClN3NaO2

>  <MolWeight> (1,153)
371.75231

>  <Cat> (1,153)
S0707

>  <Name> (1,153)
Silmitasertib sodium salt

>  <Target> (1,153)
Casein Kinase

>  <Form> (1,153)
sodium

>  <CAS> (1,153)
1309357-15-0

>  <URL> (1,153)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,154)
1154

>  <Formula> (1,154)
C23H40N2O3

>  <MolWeight> (1,154)
392.5753

>  <Cat> (1,154)
S0752

>  <Name> (1,154)
AUDA

>  <Target> (1,154)
Epoxide Hydrolase

>  <Form> (1,154)
free base

>  <CAS> (1,154)
479413-70-2

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

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,155)
1155

>  <Formula> (1,155)
C25H34N6O8S2

>  <MolWeight> (1,155)
610.70286

>  <Cat> (1,155)
S0785

>  <Name> (1,155)
Apilimod mesylate

>  <Target> (1,155)
Interleukins

>  <Form> (1,155)
mesylate

>  <CAS> (1,155)
870087-36-8

>  <URL> (1,155)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/07272117312D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,156)
1156

>  <Formula> (1,156)
C11H15ClN4O4

>  <MolWeight> (1,156)
302.7142

>  <Cat> (1,156)
S0787

>  <Name> (1,156)
3-Deazaadenosine hydrochloride

>  <Target> (1,156)
TNF-alpha

>  <Form> (1,156)
hydrochloride

>  <CAS> (1,156)
86583-19-9

>  <URL> (1,156)
http://www.selleckchem.com/products/3-deazaadenosine-hydrochloride.html

$$$$

csChFnd80/07272117312D

 35 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,157)
1157

>  <Formula> (1,157)
C28H29NO6

>  <MolWeight> (1,157)
475.53296

>  <Cat> (1,157)
S0818

>  <Name> (1,157)
STAT3-IN-1

>  <Target> (1,157)
STAT

>  <Form> (1,157)
free base

>  <CAS> (1,157)
2059952-75-7

>  <URL> (1,157)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/07272117312D

 36 38  0  0  0  0  0  0  0  0999 V2000
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free base

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STAT

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free base

>  <CAS> (1,159)
50298-90-3

>  <URL> (1,159)
http://www.selleckchem.com/products/curcubitacin-iib.html

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>  <Formula> (1,160)
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free base

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535-83-1

>  <URL> (1,160)
http://www.selleckchem.com/products/trigonelline.html

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csChFnd80/07272117312D

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C7H14O6

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TGF-beta/Smad

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free base

>  <CAS> (1,161)
642-38-6

>  <URL> (1,161)
http://www.selleckchem.com/products/l-quebrachitol.html

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M  END
>  <Mol_ID> (1,162)
1162

>  <Formula> (1,162)
C26H34O6

>  <MolWeight> (1,162)
442.54456

>  <Cat> (1,162)
S3224

>  <Name> (1,162)
Cinobufagin

>  <Target> (1,162)
ATM/ATR

>  <Form> (1,162)
free base

>  <CAS> (1,162)
470-37-1

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

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,163)
1163

>  <Formula> (1,163)
C20H28O2

>  <MolWeight> (1,163)
300.43512

>  <Cat> (1,163)
S3226

>  <Name> (1,163)
Dehydroabietic acid

>  <Target> (1,163)
Anti-infection

>  <Form> (1,163)
free base

>  <CAS> (1,163)
1740-19-8

>  <URL> (1,163)
http://www.selleckchem.com/products/dehydroabietic-acid.html

$$$$

csChFnd80/07272117312D

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 24  2  1  1  0  0  0
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M  END
>  <Mol_ID> (1,164)
1164

>  <Formula> (1,164)
C24H32O4

>  <MolWeight> (1,164)
384.50848

>  <Cat> (1,164)
S3238

>  <Name> (1,164)
Resibufogenin

>  <Target> (1,164)
RIP kinase

>  <Form> (1,164)
free base

>  <CAS> (1,164)
465-39-4

>  <URL> (1,164)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/07272117312D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,165)
1165

>  <Formula> (1,165)
C17H18O4

>  <MolWeight> (1,165)
286.32242

>  <Cat> (1,165)
S3241

>  <Name> (1,165)
Loureirin A

>  <Target> (1,165)
Akt

>  <Form> (1,165)
free base

>  <CAS> (1,165)
119425-89-7

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

$$$$

csChFnd80/07272117312D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,166)
1166

>  <Formula> (1,166)
C18H20O5

>  <MolWeight> (1,166)
316.3484

>  <Cat> (1,166)
S3242

>  <Name> (1,166)
Loureirin B

>  <Target> (1,166)
PAI-1

>  <Form> (1,166)
free base

>  <CAS> (1,166)
119425-90-0

>  <URL> (1,166)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/07272117312D

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 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (1,167)
1167

>  <Formula> (1,167)
C27H30O15

>  <MolWeight> (1,167)
594.5181

>  <Cat> (1,167)
S3267

>  <Name> (1,167)
Kaempferol-3-O-rutinoside

>  <Target> (1,167)
Apoptosis related

>  <Form> (1,167)
free base

>  <CAS> (1,167)
17650-84-9

>  <URL> (1,167)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,168)
1168

>  <Formula> (1,168)
C30H16O8

>  <MolWeight> (1,168)
504.44324

>  <Cat> (1,168)
S3273

>  <Name> (1,168)
Hypericin

>  <Target> (1,168)
MAO

>  <Form> (1,168)
free base

>  <CAS> (1,168)
548-04-9

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

$$$$

csChFnd80/07272117312D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,169)
1169

>  <Formula> (1,169)
C12H16O4

>  <MolWeight> (1,169)
224.25304

>  <Cat> (1,169)
S3275

>  <Name> (1,169)
Senkyunolide I

>  <Target> (1,169)
ERK

>  <Form> (1,169)
free base

>  <CAS> (1,169)
94596-28-8

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

$$$$

csChFnd80/07272117312D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,170)
1170

>  <Formula> (1,170)
C27H30O15

>  <MolWeight> (1,170)
594.5181

>  <Cat> (1,170)
S3278

>  <Name> (1,170)
Kaempferol-3-O-neohesperidoside

>  <Target> (1,170)
Carbohydrate Metabol

>  <Form> (1,170)
free base

>  <CAS> (1,170)
32602-81-6

>  <URL> (1,170)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/07272117312D

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 30 25  1  0  0  0  0
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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (1,171)
1171

>  <Formula> (1,171)
C27H34O12

>  <MolWeight> (1,171)
550.55166

>  <Cat> (1,171)
S3284

>  <Name> (1,171)
Tracheloside

>  <Target> (1,171)
phosphatase

>  <Form> (1,171)
free base

>  <CAS> (1,171)
33464-71-0

>  <URL> (1,171)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/07272117312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  8 12  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,172)
1172

>  <Formula> (1,172)
C19H12O7

>  <MolWeight> (1,172)
352.29438

>  <Cat> (1,172)
S3289

>  <Name> (1,172)
Daphnoretin

>  <Target> (1,172)
PKC

>  <Form> (1,172)
free base

>  <CAS> (1,172)
2034-69-7

>  <URL> (1,172)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/07272117312D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,173)
1173

>  <Formula> (1,173)
C17H24O2

>  <MolWeight> (1,173)
260.37126

>  <Cat> (1,173)
S3292

>  <Name> (1,173)
Falcarindiol

>  <Target> (1,173)
NOS

>  <Form> (1,173)
free base

>  <CAS> (1,173)
225110-25-8

>  <URL> (1,173)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,174)
1174

>  <Formula> (1,174)
C16H17NO3

>  <MolWeight> (1,174)
271.31108

>  <Cat> (1,174)
S3294

>  <Name> (1,174)
Demethyl-Coclaurine

>  <Target> (1,174)
Adrenergic Receptor

>  <Form> (1,174)
free base

>  <CAS> (1,174)
5843-65-2

>  <URL> (1,174)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,175)
1175

>  <Formula> (1,175)
C16H12O6

>  <MolWeight> (1,175)
300.26288

>  <Cat> (1,175)
S3296

>  <Name> (1,175)
Hispidulin

>  <Target> (1,175)
Pim

>  <Form> (1,175)
free base

>  <CAS> (1,175)
1447-88-7

>  <URL> (1,175)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,176)
1176

>  <Formula> (1,176)
C12H16N2O

>  <MolWeight> (1,176)
204.26824

>  <Cat> (1,176)
S3298

>  <Name> (1,176)
Caulophylline (N-Methylcytisine)

>  <Target> (1,176)
AChR

>  <Form> (1,176)
free base

>  <CAS> (1,176)
486-86-2 (63699-79-6, 207-643-8)

>  <URL> (1,176)
http://www.selleckchem.com/products/caulophylline-n-methylcytisine-.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,177)
1177

>  <Formula> (1,177)
C19H18NO4+

>  <MolWeight> (1,177)
324.35052

>  <Cat> (1,177)
S3299

>  <Name> (1,177)
Demethyleneberberine

>  <Target> (1,177)
Peroxidases

>  <Form> (1,177)
free base

>  <CAS> (1,177)
25459-91-0

>  <URL> (1,177)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/07272117312D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,178)
1178

>  <Formula> (1,178)
C27H33ClN2O4

>  <MolWeight> (1,178)
485.01492

>  <Cat> (1,178)
S6760

>  <Name> (1,178)
LM22B-10

>  <Target> (1,178)
Trk receptor

>  <Form> (1,178)
free base

>  <CAS> (1,178)
342777-54-2

>  <URL> (1,178)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/07272117312D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,179)
1179

>  <Formula> (1,179)
C20H15F3N8

>  <MolWeight> (1,179)
424.3819096

>  <Cat> (1,179)
S6762

>  <Name> (1,179)
Bozitinib (PLB-1001)

>  <Target> (1,179)
c-Met

>  <Form> (1,179)
free base

>  <CAS> (1,179)
1440964-89-5

>  <URL> (1,179)
http://www.selleckchem.com/products/bozitinib.html

$$$$

csChFnd80/07272117312D

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Akt

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free base

>  <CAS> (1,180)
1313881-70-7

>  <URL> (1,180)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/07272117312D

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>  <Formula> (1,181)
C15H18Cl2N2O2S

>  <MolWeight> (1,181)
361.28662

>  <Cat> (1,181)
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>  <Name> (1,181)
ML-9 HCl

>  <Target> (1,181)
Akt

>  <Form> (1,181)
hydrochloride

>  <CAS> (1,181)
105637-50-1

>  <URL> (1,181)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

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>  <Mol_ID> (1,182)
1182

>  <Formula> (1,182)
C28H23Cl5N2O2

>  <MolWeight> (1,182)
596.75942

>  <Cat> (1,182)
S6851

>  <Name> (1,182)
RA-190

>  <Target> (1,182)
Proteasome

>  <Form> (1,182)
free base

>  <CAS> (1,182)
1617495-03-0

>  <URL> (1,182)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/07272117312D

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>  <Formula> (1,183)
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>  <Name> (1,183)
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>  <Target> (1,183)
EGFR

>  <Form> (1,183)
mesylate

>  <CAS> (1,183)
1869057-83-9

>  <URL> (1,183)
http://www.selleckchem.com/products/alflutinib-ast2818-.html

$$$$

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1394820-69-9

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565-73-1

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2095704-43-9

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1613710-01-2

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1610358-56-9

>  <URL> (1,190)
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Serine/threonin kina

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free base

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1181770-72-8

>  <URL> (1,191)
http://www.selleckchem.com/products/emd638683.html

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1622849-43-7

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1655504-04-3

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1034895-42-5

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http://www.selleckchem.com/products/9-ing-41.html

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free base

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1422365-93-2

>  <URL> (1,199)
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Apcin

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300815-04-7

>  <URL> (1,200)
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57818-44-7

>  <URL> (1,201)
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M  END
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>  <Formula> (1,202)
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>  <MolWeight> (1,202)
467.843434934

>  <Cat> (1,202)
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>  <Name> (1,202)
Donafenib (Sorafenib D3)

>  <Target> (1,202)
Raf

>  <Form> (1,202)
free base

>  <CAS> (1,202)
1130115-44-4

>  <URL> (1,202)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,203)
1203

>  <Formula> (1,203)
C25H29F2N9O3

>  <MolWeight> (1,203)
541.5530664

>  <Cat> (1,203)
S9639

>  <Name> (1,203)
VX-803 (M4344)

>  <Target> (1,203)
ATM/ATR

>  <Form> (1,203)
free base

>  <CAS> (1,203)
1613191-99-3

>  <URL> (1,203)
http://www.selleckchem.com/products/vx803-m4344.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,204)
1204

>  <Formula> (1,204)
C27H27F2N5O3

>  <MolWeight> (1,204)
507.5317864

>  <Cat> (1,204)
S9660

>  <Name> (1,204)
Remibrutinib (LOU064)

>  <Target> (1,204)
BTK

>  <Form> (1,204)
free base

>  <CAS> (1,204)
1787294-07-8

>  <URL> (1,204)
http://www.selleckchem.com/products/remibrutinib-lou064.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,205)
1205

>  <Formula> (1,205)
C28H40N6O

>  <MolWeight> (1,205)
476.6568

>  <Cat> (1,205)
S9662

>  <Name> (1,205)
UNC2025

>  <Target> (1,205)
FLT3

>  <Form> (1,205)
free base

>  <CAS> (1,205)
1429881-91-3

>  <URL> (1,205)
http://www.selleckchem.com/products/unc2025.html

$$$$

csChFnd80/07272117312D

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C97H144FN33O19S2

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>  <Name> (1,206)
Motixafortide (BL-8040)

>  <Target> (1,206)
CXCR

>  <Form> (1,206)
free base

>  <CAS> (1,206)
664334-36-5

>  <URL> (1,206)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,207)
1207

>  <Formula> (1,207)
C21H25N5O2

>  <MolWeight> (1,207)
379.4555

>  <Cat> (1,207)
S9694

>  <Name> (1,207)
MLi-2

>  <Target> (1,207)
Others

>  <Form> (1,207)
free base

>  <CAS> (1,207)
1627091-47-7

>  <URL> (1,207)
http://www.selleckchem.com/products/mli-2.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,208)
1208

>  <Formula> (1,208)
C28H26N4O3

>  <MolWeight> (1,208)
466.53104

>  <Cat> (1,208)
S1421

>  <Name> (1,208)
Staurosporine

>  <Synonyms> (1,208)
CGP 41251

>  <Target> (1,208)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (1,208)
Free Base

>  <CAS> (1,208)
62996-74-1

>  <URL> (1,208)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,209)
1209

>  <Formula> (1,209)
C45H74O

>  <MolWeight> (1,209)
631.06846

>  <Cat> (1,209)
S2360

>  <Name> (1,209)
Solanesol (Nonaisoprenol)

>  <Synonyms> (1,209)
Nonaisoprenol, Betulanonaprenol

>  <Target> (1,209)
others

>  <Form> (1,209)
Free Base

>  <CAS> (1,209)
13190-97-1

>  <URL> (1,209)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,210)
1210

>  <Formula> (1,210)
C21H18N2O

>  <MolWeight> (1,210)
314.38042

>  <Cat> (1,210)
S0765

>  <Name> (1,210)
MAZ51

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (1,210)
Free Base

>  <CAS> (1,210)
163655-37-6

>  <URL> (1,210)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,211)
1211

>  <Formula> (1,211)
C42H70O12

>  <MolWeight> (1,211)
766.998

>  <Cat> (1,211)
S9210

>  <Name> (1,211)
Ginsenoside Rk1

>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
others

>  <Form> (1,211)
Free Base

>  <CAS> (1,211)
494753-69-4

>  <URL> (1,211)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,212)
1212

>  <Formula> (1,212)
C42H66O16

>  <MolWeight> (1,212)
826.96384

>  <Cat> (1,212)
S9216

>  <Name> (1,212)
Esculentoside A

>  <Synonyms> (1,212)
N/A

>  <Target> (1,212)
Immunology & Inflammation related

>  <Form> (1,212)
Free Base

>  <CAS> (1,212)
65497-07-6

>  <URL> (1,212)
https://www.selleckchem.com/products/esculentoside-a.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,213)
1213

>  <Formula> (1,213)
C19H20O5

>  <MolWeight> (1,213)
328.3591

>  <Cat> (1,213)
S9264

>  <Name> (1,213)
Decursin

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
Immunology & Inflammation related

>  <Form> (1,213)
Free Base

>  <CAS> (1,213)
5928-25-6

>  <URL> (1,213)
https://www.selleckchem.com/products/decursin.html

$$$$

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M  END
>  <Mol_ID> (1,214)
1214

>  <Formula> (1,214)
C57H92O28

>  <MolWeight> (1,214)
1225.32358

>  <Cat> (1,214)
S9304

>  <Name> (1,214)
Platycodin D

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
Immunology & Inflammation related

>  <Form> (1,214)
Free Base

>  <CAS> (1,214)
58479-68-8

>  <URL> (1,214)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/07272117312D

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  4 29  1  6  0  0  0
M  END
>  <Mol_ID> (1,215)
1215

>  <Formula> (1,215)
C22H26N2O4

>  <MolWeight> (1,215)
382.45284

>  <Cat> (1,215)
S9306

>  <Name> (1,215)
Corynoxeine

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
ERK

>  <Form> (1,215)
Free Base

>  <CAS> (1,215)
630-94-4

>  <URL> (1,215)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,216)
1216

>  <Formula> (1,216)
C50H83NO21

>  <MolWeight> (1,216)
1034.18812

>  <Cat> (1,216)
S9444

>  <Name> (1,216)
Tomatine

>  <Synonyms> (1,216)
lycopersicin

>  <Target> (1,216)
Anti-infection

>  <Form> (1,216)
Free Base

>  <CAS> (1,216)
17406-45-0

>  <URL> (1,216)
https://www.selleckchem.com/products/tomatine.html

$$$$

csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,217)
1217

>  <Formula> (1,217)
C21H21Cl2N5OS

>  <MolWeight> (1,217)
462.39534

>  <Cat> (1,217)
S0015

>  <Name> (1,217)
WNK-IN-11

>  <Synonyms> (1,217)
N/A

>  <Target> (1,217)
Serine/threonin kinase

>  <Form> (1,217)
Free Base

>  <CAS> (1,217)
2123489-30-3

>  <URL> (1,217)
https://www.selleckchem.com/products/wnk-in-11.html

$$$$

csChFnd80/07272117312D

 39 44  0  0  0  0  0  0  0  0999 V2000
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2172617-15-9

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1262041-49-5

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https://www.selleckchem.com/products/gs-444217.html

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138736-73-9

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189290-58-2

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 14 15  2  0  0  0  0
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 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
C16H15FN2O4

>  <MolWeight> (1,222)
318.2997032

>  <Cat> (1,222)
S0153

>  <Name> (1,222)
SJ000291942

>  <Synonyms> (1,222)
N/A

>  <Target> (1,222)
TGF-beta/Smad

>  <Form> (1,222)
Free Base

>  <CAS> (1,222)
425613-09-8

>  <URL> (1,222)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/07272117312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 11 18  2  0  0  0  0
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 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
C18H15N5O

>  <MolWeight> (1,223)
317.3446

>  <Cat> (1,223)
S0256

>  <Name> (1,223)
Ehp-inhibitor-1

>  <Synonyms> (1,223)
Ehp inhibitor 2

>  <Target> (1,223)
Ephrin receptor

>  <Form> (1,223)
Free Base

>  <CAS> (1,223)
861249-59-4

>  <URL> (1,223)
https://www.selleckchem.com/products/ehp-inhibitor.html

$$$$

csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0545    6.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5545    4.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,224)
1224

>  <Formula> (1,224)
C17H15NO2

>  <MolWeight> (1,224)
265.3065

>  <Cat> (1,224)
S0290

>  <Name> (1,224)
SU5204

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
VEGFR. HER2

>  <Form> (1,224)
Free Base

>  <CAS> (1,224)
186611-11-0

>  <URL> (1,224)
https://www.selleckchem.com/products/su5204.html

$$$$

csChFnd80/07272117312D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  4  1  6  0  0  0
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  5  9  1  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,225)
1225

>  <Formula> (1,225)
C13H14N2O3

>  <MolWeight> (1,225)
246.26186

>  <Cat> (1,225)
S0323

>  <Name> (1,225)
Antineoplaston A10

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
Ras

>  <Form> (1,225)
Free Base

>  <CAS> (1,225)
91531-30-5

>  <URL> (1,225)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7886    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
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  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,226)
1226

>  <Formula> (1,226)
C16H11N3O3

>  <MolWeight> (1,226)
293.27684

>  <Cat> (1,226)
S0354

>  <Name> (1,226)
Alsterpaullone

>  <Synonyms> (1,226)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (1,226)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (1,226)
Free Base

>  <CAS> (1,226)
237430-03-4

>  <URL> (1,226)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/07272117312D

 41 45  0  0  0  0  0  0  0  0999 V2000
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   13.7353   10.8319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    7.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Synonyms> (1,227)
c-Met/RON Dual Kinase Inhibitor, RON-IN-1

>  <Target> (1,227)
c-Met

>  <Form> (1,227)
Free Base

>  <CAS> (1,227)
913376-84-8

>  <URL> (1,227)
https://www.selleckchem.com/products/amg-1.html

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csChFnd80/07272117312D

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>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C17H16FN5

>  <MolWeight> (1,228)
309.3408432

>  <Cat> (1,228)
S0373

>  <Name> (1,228)
CZC-8004

>  <Synonyms> (1,228)
CZC-00008004

>  <Target> (1,228)
Bcr-Abl

>  <Form> (1,228)
Free Base

>  <CAS> (1,228)
916603-07-1

>  <URL> (1,228)
https://www.selleckchem.com/products/czc-8004.html

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csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C17H14Cl2N6O

>  <MolWeight> (1,229)
389.23866

>  <Cat> (1,229)
S0384

>  <Name> (1,229)
RO495

>  <Synonyms> (1,229)
CS-2667

>  <Target> (1,229)
JAK

>  <Form> (1,229)
Free Base

>  <CAS> (1,229)
1258296-60-4

>  <URL> (1,229)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C17H18N4O3S

>  <MolWeight> (1,230)
358.41482

>  <Cat> (1,230)
S0385

>  <Name> (1,230)
S6K-18

>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
S6 Kinase

>  <Form> (1,230)
Free Base

>  <CAS> (1,230)
1265789-88-5

>  <URL> (1,230)
https://www.selleckchem.com/products/s6k-18.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
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>  <MolWeight> (1,231)
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>  <Name> (1,231)
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>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
AMPK. apoptosis related

>  <Form> (1,231)
Free Base

>  <CAS> (1,231)
210302-17-3

>  <URL> (1,231)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C22H19N3O2S

>  <MolWeight> (1,232)
389.47016

>  <Cat> (1,232)
S0431

>  <Name> (1,232)
ML281

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Serine/threonin kinase

>  <Form> (1,232)
Free Base

>  <CAS> (1,232)
1404437-62-2

>  <URL> (1,232)
https://www.selleckchem.com/products/ml281.html

$$$$

csChFnd80/07272117312D

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  4  5  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C15H12Cl2N4O

>  <MolWeight> (1,233)
335.18798

>  <Cat> (1,233)
S0454

>  <Name> (1,233)
Adjudin

>  <Synonyms> (1,233)
AF-2364

>  <Target> (1,233)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (1,233)
Free Base

>  <CAS> (1,233)
252025-52-8

>  <URL> (1,233)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/07272117312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C22H16N2O2

>  <MolWeight> (1,234)
340.37464

>  <Cat> (1,234)
S0775

>  <Name> (1,234)
IRAK4-IN-4

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
IRAK, cGAS

>  <Form> (1,234)
Free Base

>  <CAS> (1,234)
1850276-58-2

>  <URL> (1,234)
https://www.selleckchem.com/products/irak4-in-4.html

$$$$

csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
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 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,235)
1235

>  <Formula> (1,235)
C16H12ClNO

>  <MolWeight> (1,235)
269.72558

>  <Cat> (1,235)
S0780

>  <Name> (1,235)
Oncrasin-1

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (1,235)
Free Base

>  <CAS> (1,235)
75629-57-1

>  <URL> (1,235)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/07272117312D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
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  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C20H11N3O3

>  <MolWeight> (1,236)
341.31964

>  <Cat> (1,236)
S0781

>  <Name> (1,236)
IQ 3

>  <Synonyms> (1,236)
N/A

>  <Target> (1,236)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (1,236)
Free Base

>  <CAS> (1,236)
312538-03-7

>  <URL> (1,236)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,237)
1237

>  <Formula> (1,237)
C16H11Cl2N3O2S

>  <MolWeight> (1,237)
380.24844

>  <Cat> (1,237)
S0795

>  <Name> (1,237)
O-304

>  <Synonyms> (1,237)
O-304X

>  <Target> (1,237)
AMPK

>  <Form> (1,237)
Free Base

>  <CAS> (1,237)
1261289-04-6

>  <URL> (1,237)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/07272117312D

 24 24  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,238)
1238

>  <Formula> (1,238)
C15H21N3O6

>  <MolWeight> (1,238)
339.34374

>  <Cat> (1,238)
S0827

>  <Name> (1,238)
LM22A-4

>  <Synonyms> (1,238)
LM 22A4

>  <Target> (1,238)
Trk receptor

>  <Form> (1,238)
Free Base

>  <CAS> (1,238)
37988-18-4

>  <URL> (1,238)
https://www.selleckchem.com/products/lm-22a4.html

$$$$

csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C18H13F2NO3

>  <MolWeight> (1,239)
329.2975264

>  <Cat> (1,239)
S0881

>  <Name> (1,239)
Mitochonic acid 5

>  <Synonyms> (1,239)
MA-5

>  <Target> (1,239)
Mitophagy. MAPK. ERK. Yap

>  <Form> (1,239)
Free Base

>  <CAS> (1,239)
1354707-41-7

>  <URL> (1,239)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/07272117312D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C15H9NO3

>  <MolWeight> (1,240)
251.23686

>  <Cat> (1,240)
S0890

>  <Name> (1,240)
MLS000532223

>  <Synonyms> (1,240)
N/A

>  <Target> (1,240)
Rho

>  <Form> (1,240)
Free Base

>  <CAS> (1,240)
16616-39-0

>  <URL> (1,240)
https://www.selleckchem.com/products/mls000532223.html

$$$$

csChFnd80/07272117312D

 23 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C19H17N3O

>  <MolWeight> (1,241)
303.35778

>  <Cat> (1,241)
S0977

>  <Name> (1,241)
AC1903

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
TRP Channel

>  <Form> (1,241)
Free Base

>  <CAS> (1,241)
831234-13-0

>  <URL> (1,241)
https://www.selleckchem.com/products/ac1903.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C10H16N2O2S4

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324.50624

>  <Cat> (1,242)
S0983

>  <Name> (1,242)
JX06

>  <Synonyms> (1,242)
N/A

>  <Target> (1,242)
PDK

>  <Form> (1,242)
Free Base

>  <CAS> (1,242)
729-46-4

>  <URL> (1,242)
https://www.selleckchem.com/products/jx06.html

$$$$

csChFnd80/07272117312D

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    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C22H31N9O

>  <MolWeight> (1,243)
437.54124

>  <Cat> (1,243)
S1272

>  <Name> (1,243)
XL228

>  <Synonyms> (1,243)
N/A

>  <Target> (1,243)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (1,243)
Free Base

>  <CAS> (1,243)
898280-07-4

>  <URL> (1,243)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/07272117312D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
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  8 14  2  0  0  0  0
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 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
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 15 24  1  1  0  0  0
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 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
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M  END
>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C29H30O13

>  <MolWeight> (1,244)
586.5407

>  <Cat> (1,244)
S1273

>  <Name> (1,244)
Amarogentin

>  <Synonyms> (1,244)
AG

>  <Target> (1,244)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (1,244)
Free Base

>  <CAS> (1,244)
21018-84-8

>  <URL> (1,244)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/07272117312D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
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 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,245)
1245

>  <Formula> (1,245)
C13H8O3

>  <MolWeight> (1,245)
212.20082

>  <Cat> (1,245)
S1321

>  <Name> (1,245)
Urolithin B

>  <Synonyms> (1,245)
N/A

>  <Target> (1,245)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (1,245)
Free Base

>  <CAS> (1,245)
1139-83-9

>  <URL> (1,245)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  5  7  1  0  0  0  0
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>  <Mol_ID> (1,246)
1246

>  <Formula> (1,246)
C16H12O3

>  <MolWeight> (1,246)
252.26468

>  <Cat> (1,246)
S1323

>  <Name> (1,246)
7-Methoxyisoflavone

>  <Synonyms> (1,246)
MIF

>  <Target> (1,246)
AMPK

>  <Form> (1,246)
Free Base

>  <CAS> (1,246)
1621-56-3

>  <URL> (1,246)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/07272117312D

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    4.6533    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  1  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,247)
1247

>  <Formula> (1,247)
C5H6Na2O5

>  <MolWeight> (1,247)
192.07768

>  <Cat> (1,247)
S1325

>  <Name> (1,247)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (1,247)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LG

>  <Target> (1,247)
Histone Demethylase

>  <Form> (1,247)
Disodium

>  <CAS> (1,247)
63512-50-5

>  <URL> (1,247)
https://www.selleckchem.com/products/l-2-hydroxyglutaric-acid-disodium.html

$$$$

csChFnd80/07272117312D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,248)
1248

>  <Formula> (1,248)
C30H36Br2N4O2

>  <MolWeight> (1,248)
644.44044

>  <Cat> (1,248)
S2942

>  <Name> (1,248)
EB-3D

>  <Synonyms> (1,248)
N/A

>  <Target> (1,248)
Choline kinase. AMPK. Apoptosis related

>  <Form> (1,248)
Free Base

>  <CAS> (1,248)
1839150-63-8

>  <URL> (1,248)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/07272117312D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,249)
1249

>  <Formula> (1,249)
C13H17Cl2N3O2S

>  <MolWeight> (1,249)
350.26398

>  <Cat> (1,249)
S2964

>  <Name> (1,249)
HA-100 dihydrochloride

>  <Synonyms> (1,249)
N/A

>  <Target> (1,249)
PKG, PKA, PKC, MLCK

>  <Form> (1,249)
Dihydrochlori

>  <CAS> (1,249)
210297-47-5

>  <URL> (1,249)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/07272117312D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5069    2.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    6.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    1.6194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    3.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    6.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5720    1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,250)
1250

>  <Formula> (1,250)
C12H14N2O2

>  <MolWeight> (1,250)
218.25176

>  <Cat> (1,250)
S2985

>  <Name> (1,250)
N-Acetyl-5-hydroxytryptamine

>  <Synonyms> (1,250)
NAS, N-Acetylserotonin, Normelatonin, O-Demethylmelatonin

>  <Target> (1,250)
Trk receptor

>  <Form> (1,250)
Free Base

>  <CAS> (1,250)
1210-83-9

>  <URL> (1,250)
https://www.selleckchem.com/products/n-acetyl-5-hydroxytryptamine.html

$$$$

csChFnd80/07272117312D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,251)
1251

>  <Formula> (1,251)
C3H4O3

>  <MolWeight> (1,251)
88.06206

>  <Cat> (1,251)
S3143

>  <Name> (1,251)
Pyruvic acid

>  <Synonyms> (1,251)
Acetylformic acid

>  <Target> (1,251)
LDH. Casein Kinase. ATPase.

>  <Form> (1,251)
Free Base

>  <CAS> (1,251)
127-17-3

>  <URL> (1,251)
https://www.selleckchem.com/products/pyruvic-acid.html

$$$$

csChFnd80/07272117312D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,252)
1252

>  <Formula> (1,252)
C16H30O2

>  <MolWeight> (1,252)
254.4082

>  <Cat> (1,252)
S3341

>  <Name> (1,252)
Palmitoleic acid

>  <Synonyms> (1,252)
POA, Palmitoleate

>  <Target> (1,252)
AMPK

>  <Form> (1,252)
Free Base

>  <CAS> (1,252)
373-49-9

>  <URL> (1,252)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/07272117312D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,253)
1253

>  <Formula> (1,253)
C7H7NO3

>  <MolWeight> (1,253)
153.13538

>  <Cat> (1,253)
S3355

>  <Name> (1,253)
3-Hydroxyanthranilic acid

>  <Synonyms> (1,253)
3-HAA, 3-HANA

>  <Target> (1,253)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (1,253)
Free Base

>  <CAS> (1,253)
548-93-6

>  <URL> (1,253)
https://www.selleckchem.com/products/3-hydroxyanthranilic-acid.html

$$$$

csChFnd80/07272117312D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,254)
1254

>  <Formula> (1,254)
C17H20N6O2S

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372.4447

>  <Cat> (1,254)
S6517

>  <Name> (1,254)
GNE-493

>  <Synonyms> (1,254)
N/A

>  <Target> (1,254)
PI3K. mTOR.

>  <Form> (1,254)
Free Base

>  <CAS> (1,254)
1033735-94-2

>  <URL> (1,254)
https://www.selleckchem.com/products/gne-493.html

$$$$

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M  END
>  <Mol_ID> (1,255)
1255

>  <Formula> (1,255)
C26H24IN7O

>  <MolWeight> (1,255)
577.41953

>  <Cat> (1,255)
S6912

>  <Name> (1,255)
Vacuolin-1

>  <Synonyms> (1,255)
N/A

>  <Target> (1,255)
PIKfyve. Autophagy

>  <Form> (1,255)
Free Base

>  <CAS> (1,255)
351986-85-1

>  <URL> (1,255)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,256)
1256

>  <Formula> (1,256)
C21H19F2NO3

>  <MolWeight> (1,256)
371.3772664

>  <Cat> (1,256)
S6920

>  <Name> (1,256)
SEA0400

>  <Synonyms> (1,256)
N/A

>  <Target> (1,256)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (1,256)
Free Base

>  <CAS> (1,256)
223104-29-8

>  <URL> (1,256)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,257)
1257

>  <Formula> (1,257)
C22H27ClN4O5

>  <MolWeight> (1,257)
462.92658

>  <Cat> (1,257)
S6921

>  <Name> (1,257)
Dorzagliatin

>  <Synonyms> (1,257)
HMS-5552, RO-5305552, Sinogliatin

>  <Target> (1,257)
Carbohydrate Metabolism

>  <Form> (1,257)
Free Base

>  <CAS> (1,257)
1191995-00-2

>  <URL> (1,257)
https://www.selleckchem.com/products/dorzagliatin.html

$$$$

csChFnd80/07272117312D

  1  0  0  0  0  0  0  0  0  0999 V2000
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A    1
No Structure
M  END
>  <Mol_ID> (1,258)
1258

>  <Formula> (1,258)
R

>  <Cat> (1,258)
S6955

>  <Name> (1,258)
Insulin (human)

>  <Synonyms> (1,258)
Insulin regular

>  <Target> (1,258)
IGF-1R

>  <Form> (1,258)
Free Base

>  <CAS> (1,258)
11061-68-0

>  <URL> (1,258)
https://www.selleckchem.com/products/insulin.html

$$$$

csChFnd80/07272117312D

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>  <Synonyms> (1,259)
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>  <Target> (1,259)
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>  <Form> (1,259)
Free Base

>  <CAS> (1,259)
2139287-33-3

>  <URL> (1,259)
https://www.selleckchem.com/products/thal-sns-032.html

$$$$

csChFnd80/07272117312D

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>  <Name> (1,260)
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>  <Synonyms> (1,260)
N/A

>  <Target> (1,260)
Src

>  <Form> (1,260)
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>  <CAS> (1,260)
unknown

>  <URL> (1,260)
https://www.selleckchem.com/products/dgy-06-116.html

$$$$

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1261

>  <Formula> (1,261)
C29H36F3N3O8S

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643.6716496

>  <Cat> (1,261)
S9698

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Ezatiostat

>  <Synonyms> (1,261)
TER199, TLK199, Telintra

>  <Target> (1,261)
Transferase. JNK. ERK. Apoptosis related

>  <Form> (1,261)
Free Base

>  <CAS> (1,261)
168682-53-9

>  <URL> (1,261)
https://www.selleckchem.com/products/ezatiostat.html

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csChFnd80/07272117312D

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>  <Mol_ID> (1,262)
1262

>  <Formula> (1,262)
C17H16N4O3

>  <MolWeight> (1,262)
324.33394

>  <Cat> (1,262)
S9701

>  <Name> (1,262)
HS-243

>  <Synonyms> (1,262)
N/A

>  <Target> (1,262)
IRAK

>  <Form> (1,262)
Free Base

>  <CAS> (1,262)
unknown

>  <URL> (1,262)
https://www.selleckchem.com/products/hs-243.html

$$$$

csChFnd80/07272117312D

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>  <Mol_ID> (1,263)
1263

>  <Formula> (1,263)
C17H18Cl2N6

>  <MolWeight> (1,263)
377.27102

>  <Cat> (1,263)
S9703

>  <Name> (1,263)
IACS-13909

>  <Synonyms> (1,263)
BBP-398

>  <Target> (1,263)
phosphatase

>  <Form> (1,263)
Free Base

>  <CAS> (1,263)
2160546-07-4

>  <URL> (1,263)
https://www.selleckchem.com/products/iacs-13909.html

$$$$

csChFnd80/07272117312D

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1264

>  <Formula> (1,264)
C20H12O7

>  <MolWeight> (1,264)
364.30508

>  <Cat> (1,264)
S5978

>  <Name> (1,264)
Gallein

>  <Synonyms> (1,264)
Pyrogallol phthalein

>  <Target> (1,264)
PI3K

>  <Form> (1,264)
Free Base

>  <CAS> (1,264)
2103-64-2

>  <URL> (1,264)
http://www.selleckchem.com/products/gallein.html

$$$$

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222716-34-9

>  <URL> (1,266)
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Syk

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2254693-15-5

>  <URL> (1,267)
http://www.selleckchem.com/products/srx3207.html

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M  END
>  <Mol_ID> (1,269)
1269

>  <Formula> (1,269)
C24H27Cl3FN5O3

>  <MolWeight> (1,269)
558.8602832

>  <Cat> (1,269)
S0711

>  <Name> (1,269)
Canertinib dihydrochloride

>  <Synonyms> (1,269)
CI-1033 dihydrochloride, PD-183805 dihydrochloride

>  <Target> (1,269)
EGFR

>  <Form> (1,269)
Dihydrochloride

>  <CAS> (1,269)
289499-45-2

>  <URL> (1,269)
http://www.selleckchem.com/products/canertinib-dihydrochloride.html

$$$$

csChFnd80/07272117312D

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  8 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,270)
1270

>  <Formula> (1,270)
C24H29N7O2

>  <MolWeight> (1,270)
447.53276

>  <Cat> (1,270)
S4482

>  <Name> (1,270)
Palbociclib

>  <Synonyms> (1,270)
Ibrance, PD 0332991

>  <Target> (1,270)
CDK

>  <Form> (1,270)
Free Base

>  <CAS> (1,270)
571190-30-2

>  <URL> (1,270)
http://www.selleckchem.com/products/palbociclib.html

$$$$

csChFnd80/07272117312D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
  4  6  2  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,271)
1271

>  <Formula> (1,271)
C13H8N4OS

>  <MolWeight> (1,271)
268.29382

>  <Cat> (1,271)
S9668

>  <Name> (1,271)
PKR-IN-C16

>  <Synonyms> (1,271)
imoxin, C16, Imidazolo-oxindole PKR inhibitor C16

>  <Target> (1,271)
PKR

>  <Form> (1,271)
Free Base

>  <CAS> (1,271)
608512-97-6

>  <URL> (1,271)
http://www.selleckchem.com/products/pkr-in-c16.html

$$$$

csChFnd80/07272117312D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,272)
1272

>  <Formula> (1,272)
C17H15ClO2

>  <MolWeight> (1,272)
286.7528

>  <Cat> (1,272)
S7586

>  <Name> (1,272)
PS-48

>  <Synonyms> (1,272)
N/A

>  <Target> (1,272)
PDK

>  <Form> (1,272)
Free Base

>  <CAS> (1,272)
1180676-32-7

>  <URL> (1,272)
http://www.selleckchem.com/products/ps48.html

$$$$

csChFnd80/07272117312D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,273)
1273

>  <Formula> (1,273)
C16H22O3

>  <MolWeight> (1,273)
262.34408

>  <Cat> (1,273)
S4572

>  <Name> (1,273)
Homosalate

>  <Synonyms> (1,273)
HMS, Homomenthyl salicylate

>  <Target> (1,273)
PI3K

>  <Form> (1,273)
Free Base

>  <CAS> (1,273)
118-56-9

>  <URL> (1,273)
http://www.selleckchem.com/products/homosalate.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,274)
1274

>  <Formula> (1,274)
C28H29FIN5O5S

>  <MolWeight> (1,274)
693.5282332

>  <Cat> (1,274)
S4484

>  <Name> (1,274)
Trametinib DMSO solvate

>  <Synonyms> (1,274)
GSK1120212, JTP-74057, Mekinist

>  <Target> (1,274)
MEK

>  <Form> (1,274)
Free Base

>  <CAS> (1,274)
1187431-43-1

>  <URL> (1,274)
http://www.selleckchem.com/products/trametinib-dmso-solvate.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,275)
1275

>  <Formula> (1,275)
C23H31ClN8O

>  <MolWeight> (1,275)
470.99824

>  <Cat> (1,275)
S5187

>  <Name> (1,275)
Ribociclib hydrochloride

>  <Synonyms> (1,275)
LEE011 hydrochloride

>  <Target> (1,275)
CDK

>  <Form> (1,275)
Hydrochloride

>  <CAS> (1,275)
1211443-80-9

>  <URL> (1,275)
http://www.selleckchem.com/products/ribociclib-hydrochloride.html

$$$$

csChFnd80/07272117312D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,276)
1276

>  <Formula> (1,276)
C21H22F2N6O2

>  <MolWeight> (1,276)
428.4351864

>  <Cat> (1,276)
S5860

>  <Name> (1,276)
Larotrectinib

>  <Synonyms> (1,276)
Vitrakvi, LOXO-101, ARRY-470

>  <Target> (1,276)
Trk receptor

>  <Form> (1,276)
Free Base

>  <CAS> (1,276)
1223403-58-4

>  <URL> (1,276)
http://www.selleckchem.com/products/larotrectinib.html

$$$$

csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,277)
1277

>  <Formula> (1,277)
C21H19NO5

>  <MolWeight> (1,277)
365.37926

>  <Cat> (1,277)
S0235

>  <Name> (1,277)
Lavendustin B

>  <Synonyms> (1,277)
N/A

>  <Target> (1,277)
Integrase

>  <Form> (1,277)
Free Base

>  <CAS> (1,277)
125697-91-8

>  <URL> (1,277)
http://www.selleckchem.com/products/lavendustin-b.html

$$$$

csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    3.6336    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4758    4.1982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8011    0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6336    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  2  0  0  0  0
  4 17  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 12  2  0  0  0  0
  6 16  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,278)
1278

>  <Formula> (1,278)
C16H13Cl2N3O2

>  <MolWeight> (1,278)
350.19932

>  <Cat> (1,278)
S0374

>  <Name> (1,278)
GDC046

>  <Synonyms> (1,278)
N/A

>  <Target> (1,278)
JAK

>  <Form> (1,278)
Free Base

>  <CAS> (1,278)
1258292-64-6

>  <URL> (1,278)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/07272117312D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,279)
1279

>  <Formula> (1,279)
C19H18FN3O2

>  <MolWeight> (1,279)
339.3635232

>  <Cat> (1,279)
S0995

>  <Name> (1,279)
BioE-1115

>  <Synonyms> (1,279)
N/A

>  <Target> (1,279)
Serine/threonin kinase

>  <Form> (1,279)
Free Base

>  <CAS> (1,279)
1268863-35-9

>  <URL> (1,279)
http://www.selleckchem.com/products/bioe-1115.html

$$$$

csChFnd80/07272117312D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8778    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    5.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5059    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4356    2.0355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8605    3.4355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0730    4.1355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1742    3.3869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1742    6.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0108    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2232    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398    4.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4356    3.4355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8048    2.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664    2.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4348    3.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349    5.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4978    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9227    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2854    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    3.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9227    5.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4978    5.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    6.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4428    4.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4428    5.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
 12  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6 22  2  0  0  0  0
  7 21  2  0  0  0  0
  7 27  1  0  0  0  0
  8 24  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,280)
1280

>  <Formula> (1,280)
C20H19ClN6O

>  <MolWeight> (1,280)
394.85746

>  <Cat> (1,280)
S8988

>  <Name> (1,280)
Rhosin hydrochloride

>  <Synonyms> (1,280)
G04 hydrochloride, Rhosin HCl

>  <Target> (1,280)
Rho

>  <Form> (1,280)
Hydrochloride

>  <CAS> (1,280)
1281870-42-5

>  <URL> (1,280)
http://www.selleckchem.com/products/rhosin-hydrochloride.html

$$$$

csChFnd80/07272117312D

 40 43  0  0  0  0  0  0  0  0999 V2000
   15.1539    6.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6377    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2368    7.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1539    9.3803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    8.8678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.5678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6718    5.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8508    4.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0041    5.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6757    3.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0065    3.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0539    8.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2368    9.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539    8.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5540    9.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539   10.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0003    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2127    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7878    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4 39  2  0  0  0  0
  5 40  2  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
  7 25  1  0  0  0  0
  8 23  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 32  1  0  0  0  0
 11 25  1  0  0  0  0
 11 33  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 33  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  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
 34 36  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,281)
1281

>  <Formula> (1,281)
C27H36N8O5

>  <MolWeight> (1,281)
552.62534

>  <Cat> (1,281)
S5188

>  <Name> (1,281)
Ribociclib succinate

>  <Synonyms> (1,281)
LEE011 succinate, Kisqali

>  <Target> (1,281)
CDK

>  <Form> (1,281)
Succinate

>  <CAS> (1,281)
1374639-75-4

>  <URL> (1,281)
http://www.selleckchem.com/products/ribociclib-succinate.html

$$$$

csChFnd80/07272117312D

 40 41  0  0  0  0  0  0  0  0999 V2000
    9.6995   11.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0133   12.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 N   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
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 38  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4 26  1  0  0  0  0
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  5 21  1  0  0  0  0
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 10 27  1  0  0  0  0
 10 35  2  0  0  0  0
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 19 24  1  0  0  0  0
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 25 29  1  0  0  0  0
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 26 32  1  0  0  0  0
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 28 31  1  0  0  0  0
 28 34  2  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (1,282)
1282

>  <Formula> (1,282)
C28H38Cl3N5O3S

>  <MolWeight> (1,282)
631.05702

>  <Cat> (1,282)
S4967

>  <Name> (1,282)
Ceritinib dihydrochloride

>  <Synonyms> (1,282)
Zykadia, LDK378 dihydrochloride

>  <Target> (1,282)
ALK

>  <Form> (1,282)
Dihydrochloride

>  <CAS> (1,282)
1380575-43-8

>  <URL> (1,282)
http://www.selleckchem.com/products/ceritinib-dihydrochloride.html

$$$$

csChFnd80/07272117312D

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.6674    4.6874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    8.8874    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9587    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    6.0874    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    5.1584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8176    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    1.8874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    6.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6674    8.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  5  1  6  0  0  0
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  7 14  1  0  0  0  0
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  8 18  2  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
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 25 28  2  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,283)
1283

>  <Formula> (1,283)
C21H23Cl3FN5O

>  <MolWeight> (1,283)
486.7976232

>  <Cat> (1,283)
S5190

>  <Name> (1,283)
Crizotinib hydrochloride

>  <Synonyms> (1,283)
Xalkori, PF-02341066 hydrochloride

>  <Target> (1,283)
c-Met

>  <Form> (1,283)
Hydrochloride

>  <CAS> (1,283)
1415560-69-8

>  <URL> (1,283)
http://www.selleckchem.com/products/crizotinib-hydrochloride.html

$$$$

csChFnd80/07272117312D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  5 10  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
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 18 23  1  0  0  0  0
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 11 12  1  0  0  0  0
  9 11  1  0  0  0  0
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 25 26  1  0  0  0  0
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 25 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 32  1  0  0  0  0
  4 25  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
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 36 37  2  0  0  0  0
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 33 38  2  0  0  0  0
 39 40  1  0  0  0  0
 36 39  1  0  0  0  0
 41 42  1  0  0  0  0
 34 41  1  0  0  0  0
  1 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,284)
1284

>  <Formula> (1,284)
C32H37N7O3

>  <MolWeight> (1,284)
567.68128

>  <Cat> (1,284)
S8393

>  <Name> (1,284)
HG-9-91-01

>  <Synonyms> (1,284)
SIK inhibitor 1

>  <Target> (1,284)
SIK

>  <Form> (1,284)
Free Base

>  <CAS> (1,284)
1456858-58-4

>  <URL> (1,284)
http://www.selleckchem.com/products/hg-9-91-01.html

$$$$

csChFnd80/07272117312D

 43 48  0  0  0  0  0  0  0  0999 V2000
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1595129-71-7

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http://www.selleckchem.com/products/me-401.html

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1800046-95-0

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>  <CAS> (1,287)
1876467-74-1

>  <URL> (1,287)
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1,1-Dimethylbiguanide

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AMPK

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Free Base

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657-24-9

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

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1290

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C17H15N3O6

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357.3175

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S4842

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Balsalazide

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Colazal, Giazo

>  <Target> (1,290)
Immunology & Inflammation related

>  <Form> (1,290)
Free Base

>  <CAS> (1,290)
80573-04-2

>  <URL> (1,290)
http://www.selleckchem.com/products/balsalazide.html

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1291

>  <Formula> (1,291)
C21H16Cl2F4N4O3

>  <MolWeight> (1,291)
519.2763528

>  <Cat> (1,291)
S4947

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Regorafenib Hydrochloride

>  <Synonyms> (1,291)
Stivarga, BAY 73-4506 hydrochloride

>  <Target> (1,291)
VEGFR

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Hydrochloride

>  <CAS> (1,291)
835621-07-3

>  <URL> (1,291)
http://www.selleckchem.com/products/regorafenib-hydrochloride.html

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1292

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C14H13N3OS

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271.33752

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S0981

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BD750

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N/A

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JAK

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Free Base

>  <CAS> (1,292)
892686-59-8

>  <URL> (1,292)
http://www.selleckchem.com/products/bd750.html

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 37 39  2  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 41 44  1  0  0  0  0
 42 43  2  0  0  0  0
 43 45  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
>  <Mol_ID> (1,293)
1293

>  <Formula> (1,293)
C23H36FN6Na2O15P

>  <MolWeight> (1,293)
732.5148442

>  <Cat> (1,293)
S4944

>  <Name> (1,293)
Fostamatinib disodium hexahydrate

>  <Synonyms> (1,293)
Tavalisse, R788 disodium hexahydrate, Tamatinib Fosdium hexahydrate

>  <Target> (1,293)
Syk

>  <Form> (1,293)
Disodium hexahydrate

>  <CAS> (1,293)
914295-16-2

>  <URL> (1,293)
http://www.selleckchem.com/products/fostamatinib-disodium-hexahydrate.html

$$$$

csChFnd80/07272117312D

 41 43  0  0  0  0  0  0  0  0999 V2000
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  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
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 13 39  1  0  0  0  0
 13 41  2  0  0  0  0
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 16 18  1  0  0  0  0
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 16 28  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
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 21 23  1  0  0  0  0
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 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 30 32  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  2  0  0  0  0
 36 37  2  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (1,294)
1294

>  <Formula> (1,294)
C28H25ClF3N7O2

>  <MolWeight> (1,294)
583.9920096

>  <Cat> (1,294)
S4895

>  <Name> (1,294)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (1,294)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (1,294)
Bcr-Abl

>  <Form> (1,294)
Hydrochloride monohydrate

>  <CAS> (1,294)
923288-90-8

>  <URL> (1,294)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$
AY-20590
csChFnd80/07272117312D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0955    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0955   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3955    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    1.4759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3955   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045   -1.4862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644    0.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    2.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748   -2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644   -0.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149   -0.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    3.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541   -3.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1149    0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,295)
1295

>  <Formula> (1,295)
C16H10N2O2

>  <MolWeight> (1,295)
262.2628

>  <Cat> (1,295)
P3252

>  <Name> (1,295)
AY-20590

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
Mcl-1,Anti-infection,PDGFR

>  <Form> (1,295)
free base

>  <CAS> (1,295)
57490-73-0

>  <URL> (1,295)
N/A

$$$$
WAY-278534
csChFnd80/07272117312D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.5458    3.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3000    3.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
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  3  5  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,296)
1296

>  <Formula> (1,296)
C11H9NO3S

>  <MolWeight> (1,296)
235.25906

>  <Cat> (1,296)
P3292

>  <Name> (1,296)
WAY-278534

>  <Synonyms> (1,296)
N/A

>  <Target> (1,296)
Pim-1,Pim-2

>  <Form> (1,296)
free base

>  <CAS> (1,296)
6320-51-0

>  <URL> (1,296)
N/A

$$$$
WAY-299369
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0795   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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  9 15  1  0  0  0  0
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 14 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  2  0  0  0  0
 13 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,297)
1297

>  <Formula> (1,297)
C15H15ClN2O3

>  <MolWeight> (1,297)
306.7442

>  <Cat> (1,297)
P3304

>  <Name> (1,297)
WAY-299369

>  <Synonyms> (1,297)
N/A

>  <Target> (1,297)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,297)
free base

>  <CAS> (1,297)
1005078-45-4

>  <URL> (1,297)
N/A

$$$$
WAY-382818
csChFnd80/07272117312D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,298)
1298

>  <Formula> (1,298)
C24H20N4O5

>  <MolWeight> (1,298)
444.4394

>  <Cat> (1,298)
P3418

>  <Name> (1,298)
WAY-382818

>  <Synonyms> (1,298)
N/A

>  <Target> (1,298)
mitogen-activated protein kinase phosphatase

>  <Form> (1,298)
free base

>  <CAS> (1,298)
1022922-35-5

>  <URL> (1,298)
N/A

$$$$
WAY-383270
csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
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  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
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 18  5  2  0  0  0  0
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 22  6  2  0  0  0  0
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 22 27  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,299)
1299

>  <Formula> (1,299)
C23H24FN3O2S

>  <MolWeight> (1,299)
425.5189632

>  <Cat> (1,299)
P3419

>  <Name> (1,299)
WAY-383270

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
Casein kinase 1¦Ä

>  <Form> (1,299)
free base

>  <CAS> (1,299)
1024284-84-1

>  <URL> (1,299)
N/A

$$$$
GI-566508
csChFnd80/07272117312D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
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  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,300)
1300

>  <Formula> (1,300)
C17H17N3S

>  <MolWeight> (1,300)
295.40198

>  <Cat> (1,300)
P3259

>  <Name> (1,300)
GI-566508

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
EGFR 

>  <Form> (1,300)
free base

>  <CAS> (1,300)
1164458-14-3

>  <URL> (1,300)
N/A

$$$$
WAY-107407
csChFnd80/07272117312D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,301)
1301

>  <Formula> (1,301)
C15H12N2O3

>  <MolWeight> (1,301)
268.26738

>  <Cat> (1,301)
P3262

>  <Name> (1,301)
WAY-107407

>  <Synonyms> (1,301)
N/A

>  <Target> (1,301)
PI3K

>  <Form> (1,301)
free base

>  <CAS> (1,301)
1164469-67-3

>  <URL> (1,301)
N/A

$$$$
WAY-114506
csChFnd80/07272117312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
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 13  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C10H18N4O4

>  <MolWeight> (1,302)
258.27432

>  <Cat> (1,302)
P3265

>  <Name> (1,302)
WAY-114506

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
amyloid beta

>  <Form> (1,302)
free base

>  <CAS> (1,302)
1164500-43-9

>  <URL> (1,302)
N/A

$$$$
WAY-221060-A
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,303)
1303

>  <Formula> (1,303)
C17H25NO

>  <MolWeight> (1,303)
259.3865

>  <Cat> (1,303)
P3266

>  <Name> (1,303)
WAY-221060-A

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,303)
free base

>  <CAS> (1,303)
1351406-38-6

>  <URL> (1,303)
N/A

$$$$
WAY-240932
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 18 21  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,304)
1304

>  <Formula> (1,304)
C15H11BrN2O2S

>  <MolWeight> (1,304)
363.22904

>  <Cat> (1,304)
P3269

>  <Name> (1,304)
WAY-240932

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
serine/threonine kinase

>  <Form> (1,304)
free base

>  <CAS> (1,304)
326914-66-3

>  <URL> (1,304)
N/A

$$$$
WAY-299590
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  1  0  0  0  0
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 18 10  2  0  0  0  0
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 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 20 22  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1305

>  <Formula> (1,305)
C19H20FNO

>  <MolWeight> (1,305)
297.3666032

>  <Cat> (1,305)
P3305

>  <Name> (1,305)
WAY-299590

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
InhA,p38a

>  <Form> (1,305)
free base

>  <CAS> (1,305)
260428-61-3

>  <URL> (1,305)
N/A

$$$$
WAY-300062
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11 15  1  0  0  0  0
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 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1306

>  <Formula> (1,306)
C16H16N4O2S

>  <MolWeight> (1,306)
328.38884

>  <Cat> (1,306)
P3307

>  <Name> (1,306)
WAY-300062

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
Anti-infection

>  <Form> (1,306)
free base

>  <CAS> (1,306)
330990-68-6

>  <URL> (1,306)
N/A

$$$$
WAY-346658
csChFnd80/07272117312D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  7  8  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,307)
1540

>  <Formula> (1,307)
C13H11ClN2O2S

>  <MolWeight> (1,307)
294.75664

>  <Cat> (1,307)
P3715

>  <Name> (1,307)
WAY-346658

>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
c-Jun N-terminal kinase

>  <Form> (1,307)
free base

>  <CAS> (1,307)
381714-44-9

>  <URL> (1,307)
N/A

$$$$
WAY-350471
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
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 20  6  1  0  0  0  0
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 11  8  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,308)
1541

>  <Formula> (1,308)
C14H18N4OS

>  <MolWeight> (1,308)
290.38392

>  <Cat> (1,308)
P3714

>  <Name> (1,308)
WAY-350471

>  <Synonyms> (1,308)
N/A

>  <Target> (1,308)
IRAK

>  <Form> (1,308)
free base

>  <CAS> (1,308)
785705-53-5

>  <URL> (1,308)
N/A

$$$$
WAY-352563
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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505051-04-7

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N/A

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GI-505946
csChFnd80/07272117312D

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13142-47-7

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N/A

$$$$
WAY-354896
csChFnd80/07272117312D

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136498-37-8

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N/A

$$$$
WAY-380496
csChFnd80/07272117312D

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DAPK

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304000-05-3

>  <URL> (1,312)
N/A

$$$$
WAY-381332
csChFnd80/07272117312D

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>  <Synonyms> (1,313)
N/A

>  <Target> (1,313)
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free base

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380163-63-3

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N/A

$$$$
WAY-332656
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M  END
>  <Mol_ID> (1,314)
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WAY-332656

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N/A

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Protein kinase C epsilon signaling

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free base

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904458-98-6

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N/A

$$$$
WAY-601017
csChFnd80/07272117312D

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M  END
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1548

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C25H22N6O3S

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486.54558

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>  <Name> (1,315)
WAY-601017

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
 PI3K

>  <Form> (1,315)
free base

>  <CAS> (1,315)
300375-81-9

>  <URL> (1,315)
N/A

$$$$
WAY-601035
csChFnd80/07272117312D

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>  <Mol_ID> (1,316)
1549

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WAY-601035

>  <Synonyms> (1,316)
N/A

>  <Target> (1,316)
 PI3K

>  <Form> (1,316)
free base

>  <CAS> (1,316)
304645-61-2

>  <URL> (1,316)
N/A

$$$$
WAY-614915
csChFnd80/07272117312D

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>  <Mol_ID> (1,317)
1550

>  <Formula> (1,317)
C14H14N4S

>  <MolWeight> (1,317)
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P3452

>  <Name> (1,317)
WAY-614915

>  <Synonyms> (1,317)
N/A

>  <Target> (1,317)
Casein kinase 1¦Ä

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free base

>  <CAS> (1,317)
450394-66-8

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N/A

$$$$
WAY-615029
csChFnd80/07272117312D

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>  <Mol_ID> (1,318)
1551

>  <Formula> (1,318)
C14H15N3O4S

>  <MolWeight> (1,318)
321.3516

>  <Cat> (1,318)
P3453

>  <Name> (1,318)
WAY-615029

>  <Synonyms> (1,318)
N/A

>  <Target> (1,318)
Kinase

>  <Form> (1,318)
free base

>  <CAS> (1,318)
730945-59-2

>  <URL> (1,318)
N/A

$$$$
WAY-632613
csChFnd80/07272117312D

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p38

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free base

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731816-85-6

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N/A

$$$$
WAY-632896
csChFnd80/07272117312D

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>  <Synonyms> (1,320)
N/A

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CDK9,GSK-3

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free base

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784170-07-6

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N/A

$$$$
WAY-632963-A
csChFnd80/07272117312D

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Aurora kinase A

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free base

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900640-73-5

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N/A

$$$$
WAY-633334
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,322)
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P3479

>  <Name> (1,322)
WAY-633334

>  <Synonyms> (1,322)
N/A

>  <Target> (1,322)
Casein kinase 1¦Ä

>  <Form> (1,322)
free base

>  <CAS> (1,322)
757224-44-5

>  <URL> (1,322)
N/A

$$$$
WAY-633877
csChFnd80/07272117312D

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1556

>  <Formula> (1,323)
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>  <MolWeight> (1,323)
389.40726

>  <Cat> (1,323)
P3480

>  <Name> (1,323)
WAY-633877

>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
Casein kinase 1¦Ä

>  <Form> (1,323)
free base

>  <CAS> (1,323)
782452-74-8

>  <URL> (1,323)
N/A

$$$$
WAY-652435
csChFnd80/07272117312D

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>  <Mol_ID> (1,324)
1557

>  <Formula> (1,324)
C9H15N3O

>  <MolWeight> (1,324)
181.2349

>  <Cat> (1,324)
P3514

>  <Name> (1,324)
WAY-652435

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,324)
free base

>  <CAS> (1,324)
173850-51-6

>  <URL> (1,324)
N/A

$$$$
WAY-652509
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,325)
1558

>  <Formula> (1,325)
C15H12ClN3

>  <MolWeight> (1,325)
269.72888

>  <Cat> (1,325)
P3515

>  <Name> (1,325)
WAY-652509

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,325)
free base

>  <CAS> (1,325)
854355-54-7

>  <URL> (1,325)
N/A

$$$$
WAY-652641
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,326)
1559

>  <Formula> (1,326)
C9H14N2O3

>  <MolWeight> (1,326)
198.21906

>  <Cat> (1,326)
P3516

>  <Name> (1,326)
WAY-652641

>  <Synonyms> (1,326)
N/A

>  <Target> (1,326)
CDK

>  <Form> (1,326)
free base

>  <CAS> (1,326)
852851-73-1

>  <URL> (1,326)
N/A

$$$$
WAY-652848
csChFnd80/07272117312D

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 16 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,327)
1560

>  <Formula> (1,327)
C17H17F3N2O3

>  <MolWeight> (1,327)
354.3236896

>  <Cat> (1,327)
P3517

>  <Name> (1,327)
WAY-652848

>  <Synonyms> (1,327)
N/A

>  <Target> (1,327)
SRPK kinase 

>  <Form> (1,327)
free base

>  <CAS> (1,327)
848057-98-7

>  <URL> (1,327)
N/A

$$$$
WAY-653005
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,328)
1561

>  <Formula> (1,328)
C11H15NO

>  <MolWeight> (1,328)
177.2429

>  <Cat> (1,328)
P3518

>  <Name> (1,328)
WAY-653005

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
others

>  <Form> (1,328)
free base

>  <CAS> (1,328)
74190-66-2

>  <URL> (1,328)
N/A

$$$$
WAY-271413
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,329)
1562

>  <Formula> (1,329)
C20H15N3O4S

>  <MolWeight> (1,329)
393.4158

>  <Cat> (1,329)
P3282

>  <Name> (1,329)
WAY-271413

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
GSK-3¦Â

>  <Form> (1,329)
free base

>  <CAS> (1,329)
536731-65-4

>  <URL> (1,329)
N/A

$$$$
WAY-271999
csChFnd80/07272117312D

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 10  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,330)
1563

>  <Formula> (1,330)
C11H7ClN2O3

>  <MolWeight> (1,330)
250.63788

>  <Cat> (1,330)
P3283

>  <Name> (1,330)
WAY-271999

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
c-Met

>  <Form> (1,330)
free base

>  <CAS> (1,330)
147920-34-1

>  <URL> (1,330)
N/A

$$$$
WAY-272077
csChFnd80/07272117312D

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N/A

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sphingosine kinase

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free base

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1415662-57-5

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N/A

$$$$
WAY-272130
csChFnd80/07272117312D

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WAY-272130

>  <Synonyms> (1,332)
N/A

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FGFR1

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free base

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442534-83-0

>  <URL> (1,332)
N/A

$$$$
WAY-272324
csChFnd80/07272117312D

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>  <Name> (1,333)
WAY-272324

>  <Synonyms> (1,333)
N/A

>  <Target> (1,333)
 PI3K

>  <Form> (1,333)
free base

>  <CAS> (1,333)
900515-01-7

>  <URL> (1,333)
N/A

$$$$
WAY-272449
csChFnd80/07272117312D

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>  <Formula> (1,334)
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>  <Name> (1,334)
WAY-272449

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
FGFR1

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free base

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670266-26-9

>  <URL> (1,334)
N/A

$$$$
WAY-272589
csChFnd80/07272117312D

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>  <Formula> (1,335)
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>  <MolWeight> (1,335)
345.4392

>  <Cat> (1,335)
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>  <Name> (1,335)
WAY-272589

>  <Synonyms> (1,335)
N/A

>  <Target> (1,335)
pin1

>  <Form> (1,335)
free base

>  <CAS> (1,335)
637325-53-2

>  <URL> (1,335)
N/A

$$$$
WAY-320008
csChFnd80/07272117312D

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    3.8644    0.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.4408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,336)
1569

>  <Formula> (1,336)
C20H16N4

>  <MolWeight> (1,336)
312.36784

>  <Cat> (1,336)
P3322

>  <Name> (1,336)
WAY-320008

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
tropomyosin-related kinase a

>  <Form> (1,336)
free base

>  <CAS> (1,336)
128889-33-8

>  <URL> (1,336)
N/A

$$$$
WAY-320426
csChFnd80/07272117312D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.1000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4458   -0.4167    0.0000 C   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
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  2  0  0  0  0
  6  5  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,337)
1570

>  <Formula> (1,337)
C14H14ClN3O2

>  <MolWeight> (1,337)
291.73286

>  <Cat> (1,337)
P3326

>  <Name> (1,337)
WAY-320426

>  <Synonyms> (1,337)
N/A

>  <Target> (1,337)
Anti-infection

>  <Form> (1,337)
free base

>  <CAS> (1,337)
312601-47-1

>  <URL> (1,337)
N/A

$$$$
WAY-635767
csChFnd80/07272117312D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.4833   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1583    1.5583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  3  5  1  0  0  0  0
 15 14  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,338)
1571

>  <Formula> (1,338)
C12H12ClN3O

>  <MolWeight> (1,338)
249.69618

>  <Cat> (1,338)
P3488

>  <Name> (1,338)
WAY-635767

>  <Synonyms> (1,338)
N/A

>  <Target> (1,338)
Aurora kinase A

>  <Form> (1,338)
free base

>  <CAS> (1,338)
790232-33-6

>  <URL> (1,338)
N/A

$$$$
WAY-654447
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    2.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7458    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  8  5  1  0  0  0  0
 22 19  2  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,339)
1572

>  <Formula> (1,339)
C16H14N4O2

>  <MolWeight> (1,339)
294.30796

>  <Cat> (1,339)
P3519

>  <Name> (1,339)
WAY-654447

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
FLT3,Androgen Receptor

>  <Form> (1,339)
free base

>  <CAS> (1,339)
852304-07-5

>  <URL> (1,339)
N/A

$$$$
CL-16859
csChFnd80/07272117312D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5616   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,340)
1573

>  <Formula> (1,340)
C14H20N2O2

>  <MolWeight> (1,340)
248.3208

>  <Cat> (1,340)
P3254

>  <Name> (1,340)
CL-16859

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
Anti-infection 

>  <Form> (1,340)
free base

>  <CAS> (1,340)
438025-86-6

>  <URL> (1,340)
N/A

$$$$
WAY-320706
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0542    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7833    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
 19 13  2  0  0  0  0
 20 17  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,341)
1574

>  <Formula> (1,341)
C13H11ClN6OS2

>  <MolWeight> (1,341)
366.84904

>  <Cat> (1,341)
P3328

>  <Name> (1,341)
WAY-320706

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
Anti-infection, ATOH-1

>  <Form> (1,341)
free base

>  <CAS> (1,341)
370092-42-5

>  <URL> (1,341)
N/A

$$$$
WAY-320774
csChFnd80/07272117312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,342)
1575

>  <Formula> (1,342)
C19H16N4O2S

>  <MolWeight> (1,342)
364.42094

>  <Cat> (1,342)
P3329

>  <Name> (1,342)
WAY-320774

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,342)
free base

>  <CAS> (1,342)
425653-38-9

>  <URL> (1,342)
N/A

$$$$
WAY-320951
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6 10  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 18  1  0  0  0  0
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 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,343)
1576

>  <Formula> (1,343)
C14H11N3O4S

>  <MolWeight> (1,343)
317.31984

>  <Cat> (1,343)
P3330

>  <Name> (1,343)
WAY-320951

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
Anti-infection

>  <Form> (1,343)
free base

>  <CAS> (1,343)
430444-03-4

>  <URL> (1,343)
N/A

$$$$
WAY-321002
csChFnd80/07272117312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
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M  END
>  <Mol_ID> (1,344)
1577

>  <Formula> (1,344)
C20H16N4

>  <MolWeight> (1,344)
312.36784

>  <Cat> (1,344)
P3331

>  <Name> (1,344)
WAY-321002

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,344)
free base

>  <CAS> (1,344)
166039-38-9

>  <URL> (1,344)
N/A

$$$$
WAY-321364
csChFnd80/07272117312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 11 13  2  0  0  0  0
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  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,345)
1578

>  <Formula> (1,345)
C21H17N3O4

>  <MolWeight> (1,345)
375.37738

>  <Cat> (1,345)
P3332

>  <Name> (1,345)
WAY-321364

>  <Synonyms> (1,345)
N/A

>  <Target> (1,345)
casein kinase 2

>  <Form> (1,345)
free base

>  <CAS> (1,345)
385389-39-9

>  <URL> (1,345)
N/A

$$$$
WAY-321366
csChFnd80/07272117312D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,346)
1579

>  <Formula> (1,346)
C20H14ClN3O3

>  <MolWeight> (1,346)
379.79646

>  <Cat> (1,346)
P3333

>  <Name> (1,346)
WAY-321366

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
tyrosine kinase

>  <Form> (1,346)
free base

>  <CAS> (1,346)
370854-75-4

>  <URL> (1,346)
N/A

$$$$
WAY-321582-A
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,347)
1580

>  <Formula> (1,347)
C13H11N3O

>  <MolWeight> (1,347)
225.24594

>  <Cat> (1,347)
P3334

>  <Name> (1,347)
WAY-321582-A

>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
casein kinase 2

>  <Form> (1,347)
free base

>  <CAS> (1,347)
34116-16-0

>  <URL> (1,347)
N/A

$$$$
WAY-321873
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,348)
1581

>  <Formula> (1,348)
C21H17N5O4S

>  <MolWeight> (1,348)
435.45578

>  <Cat> (1,348)
P3335

>  <Name> (1,348)
WAY-321873

>  <Synonyms> (1,348)
N/A

>  <Target> (1,348)
 GATA4-NKX2-5,AKT

>  <Form> (1,348)
free base

>  <CAS> (1,348)
547704-53-0

>  <URL> (1,348)
N/A

$$$$
WAY-321961
csChFnd80/07272117312D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,349)
1582

>  <Formula> (1,349)
C12H11NO3

>  <MolWeight> (1,349)
217.22064

>  <Cat> (1,349)
P3336

>  <Name> (1,349)
WAY-321961

>  <Synonyms> (1,349)
N/A

>  <Target> (1,349)
protein kinase D

>  <Form> (1,349)
free base

>  <CAS> (1,349)
370586-05-3

>  <URL> (1,349)
N/A

$$$$
WAY-322545
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,350)
1583

>  <Formula> (1,350)
C17H19ClN2O3

>  <MolWeight> (1,350)
334.79736

>  <Cat> (1,350)
P3337

>  <Name> (1,350)
WAY-322545

>  <Synonyms> (1,350)
N/A

>  <Target> (1,350)
GSK-3¦Á/¦Â

>  <Form> (1,350)
free base

>  <CAS> (1,350)
451449-70-0

>  <URL> (1,350)
N/A

$$$$
WAY-322940
csChFnd80/07272117312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,351)
1584

>  <Formula> (1,351)
C22H20N4O4S

>  <MolWeight> (1,351)
436.4836

>  <Cat> (1,351)
P3338

>  <Name> (1,351)
WAY-322940

>  <Synonyms> (1,351)
N/A

>  <Target> (1,351)
Rho 

>  <Form> (1,351)
free base

>  <CAS> (1,351)
445267-51-6

>  <URL> (1,351)
N/A

$$$$
WAY-604116
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,352)
1585

>  <Formula> (1,352)
C17H22N2O

>  <MolWeight> (1,352)
270.36938

>  <Cat> (1,352)
P3436

>  <Name> (1,352)
WAY-604116

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,352)
free base

>  <CAS> (1,352)
121768-39-6

>  <URL> (1,352)
N/A

$$$$
WAY-603610
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,353)
1586

>  <Formula> (1,353)
C17H19N3OS

>  <MolWeight> (1,353)
313.41726

>  <Cat> (1,353)
P3434

>  <Name> (1,353)
WAY-603610

>  <Synonyms> (1,353)
N/A

>  <Target> (1,353)
GSK3

>  <Form> (1,353)
free base

>  <CAS> (1,353)
380450-97-5

>  <URL> (1,353)
N/A

$$$$
WAY-603814
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 14 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,354)
1587

>  <Formula> (1,354)
C16H13ClN2O3

>  <MolWeight> (1,354)
316.73902

>  <Cat> (1,354)
P3435

>  <Name> (1,354)
WAY-603814

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
FGFR1, HSP 90 

>  <Form> (1,354)
free base

>  <CAS> (1,354)
308298-51-3

>  <URL> (1,354)
N/A

$$$$
WAY-636900
csChFnd80/07272117312D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,355)
1588

>  <Formula> (1,355)
C20H20N4O5S

>  <MolWeight> (1,355)
428.4616

>  <Cat> (1,355)
P3489

>  <Name> (1,355)
WAY-636900

>  <Synonyms> (1,355)
N/A

>  <Target> (1,355)
Aurora kinase A

>  <Form> (1,355)
free base

>  <CAS> (1,355)
792965-51-6

>  <URL> (1,355)
N/A

$$$$
WAY-636982
csChFnd80/07272117312D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,356)
1589

>  <Formula> (1,356)
C10H14N2O4

>  <MolWeight> (1,356)
226.22916

>  <Cat> (1,356)
P3490

>  <Name> (1,356)
WAY-636982

>  <Synonyms> (1,356)
N/A

>  <Target> (1,356)
Aurora kinase A

>  <Form> (1,356)
free base

>  <CAS> (1,356)
834-45-7

>  <URL> (1,356)
N/A

$$$$
WAY-637081
csChFnd80/07272117312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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N/A

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VEGFR2,Casein kinase 1d

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free base

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793722-88-0

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N/A

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WAY-637493
csChFnd80/07272117312D

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WAY-637493

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N/A

>  <Target> (1,358)
Fyn

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free base

>  <CAS> (1,358)
791600-64-1

>  <URL> (1,358)
N/A

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WAY-637845
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WAY-637845

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>  <Target> (1,359)
others

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free base

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794539-14-3

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N/A

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WAY-655860
csChFnd80/07272117312D

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N/A

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B-Raf

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free base

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63895-45-4

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N/A

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WAY-655978
csChFnd80/07272117312D

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ROCK, ERK, GSK, and AGC

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free base

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692869-98-0

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N/A

$$$$
WAY-656283
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WAY-656283

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p38

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free base

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263270-62-8

>  <URL> (1,362)
N/A

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WAY-656935
csChFnd80/07272117312D

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N/A

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 ROCK, ERK, GSK, and AGC 

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free base

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852902-81-9

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N/A

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WAY-657460
csChFnd80/07272117312D

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>  <Synonyms> (1,364)
N/A

>  <Target> (1,364)
 ROCK, ERK, GSK, and AGC 

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free base

>  <CAS> (1,364)
853325-19-6

>  <URL> (1,364)
N/A

$$$$
WAY-323534
csChFnd80/07272117312D

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>  <Formula> (1,365)
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>  <Name> (1,365)
WAY-323534

>  <Synonyms> (1,365)
N/A

>  <Target> (1,365)
PASK

>  <Form> (1,365)
free base

>  <CAS> (1,365)
854040-96-3

>  <URL> (1,365)
N/A

$$$$
WAY-323878-A
csChFnd80/07272117312D

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1599

>  <Formula> (1,366)
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>  <MolWeight> (1,366)
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>  <Cat> (1,366)
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>  <Name> (1,366)
WAY-323878-A

>  <Synonyms> (1,366)
N/A

>  <Target> (1,366)
CDK

>  <Form> (1,366)
free base

>  <CAS> (1,366)
1185726-51-5

>  <URL> (1,366)
N/A

$$$$
WAY-323879
csChFnd80/07272117312D

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>  <Name> (1,367)
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>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
CDK

>  <Form> (1,367)
free base

>  <CAS> (1,367)
685097-43-2

>  <URL> (1,367)
N/A

$$$$
WAY-324418
csChFnd80/07272117312D

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WAY-324418

>  <Synonyms> (1,368)
N/A

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Anti-infection

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free base

>  <CAS> (1,368)
681838-49-3

>  <URL> (1,368)
N/A

$$$$
WAY-324420
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,369)
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>  <Formula> (1,369)
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276.31428

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P3343

>  <Name> (1,369)
WAY-324420

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
Anti-infection

>  <Form> (1,369)
free base

>  <CAS> (1,369)
681838-50-6

>  <URL> (1,369)
N/A

$$$$
WAY-324709
csChFnd80/07272117312D

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>  <Mol_ID> (1,370)
1603

>  <Formula> (1,370)
C15H9FN2O3

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P3344

>  <Name> (1,370)
WAY-324709

>  <Synonyms> (1,370)
N/A

>  <Target> (1,370)
ATP-kinase

>  <Form> (1,370)
free base

>  <CAS> (1,370)
69785-85-9

>  <URL> (1,370)
N/A

$$$$
WAY-325065
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,371)
1604

>  <Formula> (1,371)
C16H17N7S

>  <MolWeight> (1,371)
339.41808

>  <Cat> (1,371)
P3345

>  <Name> (1,371)
WAY-325065

>  <Synonyms> (1,371)
N/A

>  <Target> (1,371)
MtSk

>  <Form> (1,371)
free base

>  <CAS> (1,371)
689762-76-3

>  <URL> (1,371)
N/A

$$$$
WAY-325185
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,372)
1605

>  <Formula> (1,372)
C17H21N5O3

>  <MolWeight> (1,372)
343.38034

>  <Cat> (1,372)
P3346

>  <Name> (1,372)
WAY-325185

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
VEGFR

>  <Form> (1,372)
free base

>  <CAS> (1,372)
342785-98-2

>  <URL> (1,372)
N/A

$$$$
WAY-606344
csChFnd80/07272117312D

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>  <Mol_ID> (1,373)
1606

>  <Formula> (1,373)
C14H8ClN3O2

>  <MolWeight> (1,373)
285.68522

>  <Cat> (1,373)
P3437

>  <Name> (1,373)
WAY-606344

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
Casein kinase 1d

>  <Form> (1,373)
free base

>  <CAS> (1,373)
380423-28-9

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N/A

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WAY-606954
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WAY-606956
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free base

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748145-19-9

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N/A

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WAY-606957
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N/A

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GSK3

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free base

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1062138-03-7

>  <URL> (1,376)
N/A

$$$$
WAY-606958
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free base

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882220-11-3

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N/A

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WAY-297342
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N/A

>  <Target> (1,378)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (1,378)
free base

>  <CAS> (1,378)
298207-49-5

>  <URL> (1,378)
N/A

$$$$
WAY-297629
csChFnd80/07272117312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   -2.0207   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5793    1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2241    0.4690    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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  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,379)
1612

>  <Formula> (1,379)
C21H18N2O3

>  <MolWeight> (1,379)
346.37922

>  <Cat> (1,379)
P3299

>  <Name> (1,379)
WAY-297629

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
VEGFR2

>  <Form> (1,379)
free base

>  <CAS> (1,379)
371213-22-8

>  <URL> (1,379)
N/A

$$$$
GI-569525
csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  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  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,380)
1613

>  <Formula> (1,380)
C18H17NO4S

>  <MolWeight> (1,380)
343.39688

>  <Cat> (1,380)
P3260

>  <Name> (1,380)
GI-569525

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
Anti-infection

>  <Form> (1,380)
free base

>  <CAS> (1,380)
96334-43-9

>  <URL> (1,380)
N/A

$$$$
WAY-298041
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,381)
1614

>  <Formula> (1,381)
C17H15N3O2

>  <MolWeight> (1,381)
293.3199

>  <Cat> (1,381)
P3300

>  <Name> (1,381)
WAY-298041

>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
c-Met

>  <Form> (1,381)
free base

>  <CAS> (1,381)
299405-67-7

>  <URL> (1,381)
N/A

$$$$
WAY-298350
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450  -10.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,382)
1615

>  <Formula> (1,382)
C17H17NO3

>  <MolWeight> (1,382)
283.32178

>  <Cat> (1,382)
P3301

>  <Name> (1,382)
WAY-298350

>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
A kinase anchor protein/protein kinase A int

>  <Form> (1,382)
free base

>  <CAS> (1,382)
304888-67-3

>  <URL> (1,382)
N/A

$$$$
WAY-298516
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    1.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5331    2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    1.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -1.4507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0848    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6814    3.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9876   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -2.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2393   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6048   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,383)
1616

>  <Formula> (1,383)
C14H13ClN2O3

>  <MolWeight> (1,383)
292.71762

>  <Cat> (1,383)
P3302

>  <Name> (1,383)
WAY-298516

>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,383)
free base

>  <CAS> (1,383)
103056-35-5

>  <URL> (1,383)
N/A

$$$$
WAY-298668
csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,384)
1617

>  <Formula> (1,384)
C22H23N5O3

>  <MolWeight> (1,384)
405.44972

>  <Cat> (1,384)
P3303

>  <Name> (1,384)
WAY-298668

>  <Synonyms> (1,384)
N/A

>  <Target> (1,384)
Aurora-A,JAMM protease

>  <Form> (1,384)
free base

>  <CAS> (1,384)
371224-09-8

>  <URL> (1,384)
N/A

$$$$
WAY-607324
csChFnd80/07272117312D

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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,385)
1618

>  <Formula> (1,385)
C13H8N2O2S2

>  <MolWeight> (1,385)
288.34482

>  <Cat> (1,385)
P3442

>  <Name> (1,385)
WAY-607324

>  <Synonyms> (1,385)
N/A

>  <Target> (1,385)
Mcl-1,ASK1

>  <Form> (1,385)
free base

>  <CAS> (1,385)
1427537-92-5

>  <URL> (1,385)
N/A

$$$$
WAY-607500
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,386)
1619

>  <Formula> (1,386)
C19H18N2O2

>  <MolWeight> (1,386)
306.35842

>  <Cat> (1,386)
P3443

>  <Name> (1,386)
WAY-607500

>  <Synonyms> (1,386)
N/A

>  <Target> (1,386)
VEGFR

>  <Form> (1,386)
free base

>  <CAS> (1,386)
186610-88-8

>  <URL> (1,386)
N/A

$$$$
WAY-607738
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,387)
1620

>  <Formula> (1,387)
C22H18N4O6

>  <MolWeight> (1,387)
434.40152

>  <Cat> (1,387)
P3444

>  <Name> (1,387)
WAY-607738

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (1,387)
free base

>  <CAS> (1,387)
522624-94-8

>  <URL> (1,387)
N/A

$$$$
WAY-607777
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,388)
1621

>  <Formula> (1,388)
C16H12ClN3O2S2

>  <MolWeight> (1,388)
377.86838

>  <Cat> (1,388)
P3445

>  <Name> (1,388)
WAY-607777

>  <Synonyms> (1,388)
N/A

>  <Target> (1,388)
Casein kinase 1d

>  <Form> (1,388)
free base

>  <CAS> (1,388)
522626-08-0

>  <URL> (1,388)
N/A

$$$$
WAY-619275
csChFnd80/07272117312D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,389)
1622

>  <Formula> (1,389)
C12H11N5O

>  <MolWeight> (1,389)
241.24864

>  <Cat> (1,389)
P3457

>  <Name> (1,389)
WAY-619275

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
Plk1 kinase,EphB2

>  <Form> (1,389)
free base

>  <CAS> (1,389)
73663-97-5

>  <URL> (1,389)
N/A

$$$$
WAY-619999
csChFnd80/07272117312D

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   -5.6958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  2  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14 24  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17 31  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  1  1  0  0  0  0
 23 27  1  0  0  0  0
 24 15  1  0  0  0  0
 25 11  1  0  0  0  0
 26  5  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 30 26  1  0  0  0  0
  3  6  2  0  0  0  0
 10 16  1  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,390)
1623

>  <Formula> (1,390)
C22H19Cl2N3O4

>  <MolWeight> (1,390)
460.30996

>  <Cat> (1,390)
P3458

>  <Name> (1,390)
WAY-619999

>  <Synonyms> (1,390)
N/A

>  <Target> (1,390)
CK2,GSK3¦Â

>  <Form> (1,390)
free base

>  <CAS> (1,390)
736932-33-5

>  <URL> (1,390)
N/A

$$$$
WAY-620099
csChFnd80/07272117312D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5875    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8583   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
  4  5  1  0  0  0  0
 20 19  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,391)
1624

>  <Formula> (1,391)
C15H12ClN3S

>  <MolWeight> (1,391)
301.79388

>  <Cat> (1,391)
P3459

>  <Name> (1,391)
WAY-620099

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,391)
free base

>  <CAS> (1,391)
128277-24-7

>  <URL> (1,391)
N/A

$$$$
WAY-620147
csChFnd80/07272117312D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  2  0  0  0  0
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 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,392)
1625

>  <Formula> (1,392)
C12H16BrN3O2

>  <MolWeight> (1,392)
314.17834

>  <Cat> (1,392)
P3460

>  <Name> (1,392)
WAY-620147

>  <Synonyms> (1,392)
N/A

>  <Target> (1,392)
monoamine oxidase a

>  <Form> (1,392)
free base

>  <CAS> (1,392)
515866-67-8

>  <URL> (1,392)
N/A

$$$$
WAY-638641
csChFnd80/07272117312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
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  8  6  1  0  0  0  0
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 10 21  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
 16 25  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,393)
1626

>  <Formula> (1,393)
C16H17N3O5S

>  <MolWeight> (1,393)
363.38828

>  <Cat> (1,393)
P3494

>  <Name> (1,393)
WAY-638641

>  <Synonyms> (1,393)
N/A

>  <Target> (1,393)
Aurora kinase A

>  <Form> (1,393)
free base

>  <CAS> (1,393)
796068-62-7

>  <URL> (1,393)
N/A

$$$$
WAY-638796
csChFnd80/07272117312D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,394)
1627

>  <Formula> (1,394)
C14H10ClN3S

>  <MolWeight> (1,394)
287.7673

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P3495

>  <Name> (1,394)
WAY-638796

>  <Synonyms> (1,394)
N/A

>  <Target> (1,394)
tyrosine kinase

>  <Form> (1,394)
free base

>  <CAS> (1,394)
796067-64-6

>  <URL> (1,394)
N/A

$$$$
WAY-639405
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,395)
1628

>  <Formula> (1,395)
C21H18N4O2S

>  <MolWeight> (1,395)
390.45822

>  <Cat> (1,395)
P3496

>  <Name> (1,395)
WAY-639405

>  <Synonyms> (1,395)
N/A

>  <Target> (1,395)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,395)
free base

>  <CAS> (1,395)
796052-04-5

>  <URL> (1,395)
N/A

$$$$
WAY-658341
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,396)
1629

>  <Formula> (1,396)
C18H15BrN6O2S

>  <MolWeight> (1,396)
459.3197

>  <Cat> (1,396)
P3525

>  <Name> (1,396)
WAY-658341

>  <Synonyms> (1,396)
N/A

>  <Target> (1,396)
Casein kinase 1d

>  <Form> (1,396)
free base

>  <CAS> (1,396)
849012-74-4

>  <URL> (1,396)
N/A

$$$$
WAY-658513
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,397)
1630

>  <Formula> (1,397)
C16H11ClFN3OS

>  <MolWeight> (1,397)
347.7944432

>  <Cat> (1,397)
P3526

>  <Name> (1,397)
WAY-658513

>  <Synonyms> (1,397)
N/A

>  <Target> (1,397)
ROCK, ERK, GSK, and AGC

>  <Form> (1,397)
free base

>  <CAS> (1,397)
692870-25-0

>  <URL> (1,397)
N/A

$$$$
WAY-326250
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,398)
1631

>  <Formula> (1,398)
C15H13N5OS

>  <MolWeight> (1,398)
311.36162

>  <Cat> (1,398)
P3351

>  <Name> (1,398)
WAY-326250

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
shikimate kinase

>  <Form> (1,398)
free base

>  <CAS> (1,398)
869872-13-9

>  <URL> (1,398)
N/A

$$$$
WAY-326542
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,399)
1632

>  <Formula> (1,399)
C16H15NO3S

>  <MolWeight> (1,399)
301.3602

>  <Cat> (1,399)
P3352

>  <Name> (1,399)
WAY-326542

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
CDK5/p25

>  <Form> (1,399)
free base

>  <CAS> (1,399)
870983-04-3

>  <URL> (1,399)
N/A

$$$$
WAY-326578
csChFnd80/07272117312D

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 10  7  1  0  0  0  0
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 15 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,400)
1633

>  <Formula> (1,400)
C16H16N2O3S

>  <MolWeight> (1,400)
316.37484

>  <Cat> (1,400)
P3353

>  <Name> (1,400)
WAY-326578

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
GSK-3b

>  <Form> (1,400)
free base

>  <CAS> (1,400)
870984-34-2

>  <URL> (1,400)
N/A

$$$$
WAY-326890
csChFnd80/07272117312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,401)
1634

>  <Formula> (1,401)
C17H17N3O3S2

>  <MolWeight> (1,401)
375.46518

>  <Cat> (1,401)
P3354

>  <Name> (1,401)
WAY-326890

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
Others

>  <Form> (1,401)
free base

>  <CAS> (1,401)
685865-67-2

>  <URL> (1,401)
N/A

$$$$
WAY-326891
csChFnd80/07272117312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,402)
1635

>  <Formula> (1,402)
C17H17N3O3S2

>  <MolWeight> (1,402)
375.46518

>  <Cat> (1,402)
P3355

>  <Name> (1,402)
WAY-326891

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
kinase

>  <Form> (1,402)
free base

>  <CAS> (1,402)
685865-71-8

>  <URL> (1,402)
N/A

$$$$
WAY-326892
csChFnd80/07272117312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,403)
1636

>  <Formula> (1,403)
C17H17N3O3S2

>  <MolWeight> (1,403)
375.46518

>  <Cat> (1,403)
P3356

>  <Name> (1,403)
WAY-326892

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
kinase

>  <Form> (1,403)
free base

>  <CAS> (1,403)
685865-72-9

>  <URL> (1,403)
N/A

$$$$
WAY-326893
csChFnd80/07272117312D

 25 27  0  0  0  0  0  0  0  0999 V2000
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free base

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N/A

$$$$
WAY-326894
csChFnd80/07272117312D

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kinase

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free base

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N/A

$$$$
WAY-327480
csChFnd80/07272117312D

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ROS

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687576-28-9

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N/A

$$$$
WAY-328158
csChFnd80/07272117312D

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BCR-ABL

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free base

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688050-42-2

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N/A

$$$$
WAY-621129
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,408)
1641

>  <Formula> (1,408)
C16H12O4

>  <MolWeight> (1,408)
268.26408

>  <Cat> (1,408)
P3461

>  <Name> (1,408)
WAY-621129

>  <Synonyms> (1,408)
N/A

>  <Target> (1,408)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,408)
free base

>  <CAS> (1,408)
6889-78-7

>  <URL> (1,408)
N/A

$$$$
WAY-621555
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,409)
1642

>  <Formula> (1,409)
C22H21N5

>  <MolWeight> (1,409)
355.43564

>  <Cat> (1,409)
P3462

>  <Name> (1,409)
WAY-621555

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
Casein kinase 1¦Ä

>  <Form> (1,409)
free base

>  <CAS> (1,409)
956753-89-2

>  <URL> (1,409)
N/A

$$$$
WAY-621640
csChFnd80/07272117312D

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 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17  1  1  0  0  0  0
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M  END
>  <Mol_ID> (1,410)
1643

>  <Formula> (1,410)
C17H15N3O2S

>  <MolWeight> (1,410)
325.3849

>  <Cat> (1,410)
P3463

>  <Name> (1,410)
WAY-621640

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
Casein kinase 1¦Ä

>  <Form> (1,410)
free base

>  <CAS> (1,410)
742113-71-9

>  <URL> (1,410)
N/A

$$$$
WAY-621856
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,411)
1644

>  <Formula> (1,411)
C16H9N5O3S

>  <MolWeight> (1,411)
351.33936

>  <Cat> (1,411)
P3464

>  <Name> (1,411)
WAY-621856

>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
FGFR

>  <Form> (1,411)
free base

>  <CAS> (1,411)
606958-57-0

>  <URL> (1,411)
N/A

$$$$
WAY-639932
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,412)
1645

>  <Formula> (1,412)
C17H12N4S2

>  <MolWeight> (1,412)
336.43398

>  <Cat> (1,412)
P3497

>  <Name> (1,412)
WAY-639932

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
Casein kinase 1¦Ä

>  <Form> (1,412)
free base

>  <CAS> (1,412)
851467-69-1

>  <URL> (1,412)
N/A

$$$$
WAY-660114
csChFnd80/07272117312D

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kinase

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free base

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871317-00-9

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N/A

$$$$
WAY-660222
csChFnd80/07272117312D

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WAY-660222

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
EGFR

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free base

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867294-23-3

>  <URL> (1,414)
N/A

$$$$
WAY-660667
csChFnd80/07272117312D

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WAY-660667

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
ROS

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free base

>  <CAS> (1,415)
871218-26-7

>  <URL> (1,415)
N/A

$$$$
WAY-661516
csChFnd80/07272117312D

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WAY-661516

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Aurora kinase A

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free base

>  <CAS> (1,416)
875163-98-7

>  <URL> (1,416)
N/A

$$$$
CL-230482
csChFnd80/07272117312D

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>  <Mol_ID> (1,417)
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>  <Formula> (1,417)
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>  <MolWeight> (1,417)
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>  <Cat> (1,417)
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>  <Name> (1,417)
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>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
PDGFR

>  <Form> (1,417)
free base

>  <CAS> (1,417)
909859-35-4

>  <URL> (1,417)
N/A

$$$$
WYE-163716-A
csChFnd80/07272117312D

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>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,418)
free base

>  <CAS> (1,418)
92902-64-2

>  <URL> (1,418)
N/A

$$$$
WYE-175765
csChFnd80/07272117312D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4583    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4583   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
  9 12  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,419)
1652

>  <Formula> (1,419)
C14H13NO6S

>  <MolWeight> (1,419)
323.32112

>  <Cat> (1,419)
P3534

>  <Name> (1,419)
WYE-175765

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
JAK3,YopH,antibacterial

>  <Form> (1,419)
free base

>  <CAS> (1,419)
956236-35-4

>  <URL> (1,419)
N/A

$$$$
WYE-175829
csChFnd80/07272117312D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 16 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,420)
1653

>  <Formula> (1,420)
C13H14N2O3S

>  <MolWeight> (1,420)
278.32686

>  <Cat> (1,420)
P3535

>  <Name> (1,420)
WYE-175829

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,420)
free base

>  <CAS> (1,420)
327093-01-6

>  <URL> (1,420)
N/A

$$$$
WYE-175837
csChFnd80/07272117312D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1452    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    2.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556    3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1654

>  <Formula> (1,421)
C14H14N2O2

>  <MolWeight> (1,421)
242.27316

>  <Cat> (1,421)
P3536

>  <Name> (1,421)
WYE-175837

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,421)
free base

>  <CAS> (1,421)
891-35-0

>  <URL> (1,421)
N/A

$$$$
WYE-175840
csChFnd80/07272117312D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9042    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2500    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,422)
1655

>  <Formula> (1,422)
C17H19N5O3S

>  <MolWeight> (1,422)
373.42946

>  <Cat> (1,422)
P3537

>  <Name> (1,422)
WYE-175840

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,422)
free base

>  <CAS> (1,422)
380432-29-1

>  <URL> (1,422)
N/A

$$$$
WYE-176092
csChFnd80/07272117312D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5910    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1669   -1.3511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090   -1.0477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    0.7040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
1656

>  <Formula> (1,423)
C12H14N2O2S2

>  <MolWeight> (1,423)
282.38176

>  <Cat> (1,423)
P3538

>  <Name> (1,423)
WYE-176092

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
Anti-infection

>  <Form> (1,423)
free base

>  <CAS> (1,423)
121746-06-3

>  <URL> (1,423)
N/A

$$$$
WAY-333491
csChFnd80/07272117312D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.7667    5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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WAY-333434
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free base

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721964-45-0

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N/A

$$$$
WAY-662864
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free base

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1621866-83-8

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N/A

$$$$
WAY-278752
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free base

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331652-38-1

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N/A

$$$$
WAY-329594
csChFnd80/07272117312D

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>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
others

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free base

>  <CAS> (1,428)
956910-37-5

>  <URL> (1,428)
N/A

$$$$
WAY-329599
csChFnd80/07272117312D

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>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
others

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free base

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956910-38-6

>  <URL> (1,429)
N/A

$$$$
WAY-329603
csChFnd80/07272117312D

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M  END
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>  <MolWeight> (1,430)
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>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
others

>  <Form> (1,430)
free base

>  <CAS> (1,430)
956910-39-7

>  <URL> (1,430)
N/A

$$$$
WAY-329598
csChFnd80/07272117312D

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>  <Formula> (1,431)
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>  <MolWeight> (1,431)
361.4386

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>  <Synonyms> (1,431)
N/A

>  <Target> (1,431)
others

>  <Form> (1,431)
free base

>  <CAS> (1,431)
956910-48-8

>  <URL> (1,431)
N/A

$$$$
WAY-329607
csChFnd80/07272117312D

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1665

>  <Formula> (1,432)
C14H9ClFN3O3S2

>  <MolWeight> (1,432)
385.8209632

>  <Cat> (1,432)
P3373

>  <Name> (1,432)
WAY-329607

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
others

>  <Form> (1,432)
free base

>  <CAS> (1,432)
956920-91-5

>  <URL> (1,432)
N/A

$$$$
WAY-278535
csChFnd80/07272117312D

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>  <Formula> (1,433)
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>  <MolWeight> (1,433)
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>  <Cat> (1,433)
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>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
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>  <Form> (1,433)
free base

>  <CAS> (1,433)
24138-83-8

>  <URL> (1,433)
N/A

$$$$
WAY-299721
csChFnd80/07272117312D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
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  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 22  1  0  0  0  0
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 26 29  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,434)
1307

>  <Formula> (1,434)
C18H15ClF3N5OS

>  <MolWeight> (1,434)
441.8578096

>  <Cat> (1,434)
P3306

>  <Name> (1,434)
WAY-299721

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
SYK kinase

>  <Form> (1,434)
free base

>  <CAS> (1,434)
338427-78-4

>  <URL> (1,434)
N/A

$$$$
WAY-300385
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,435)
1308

>  <Formula> (1,435)
C13H15N3O2S2

>  <MolWeight> (1,435)
309.4071

>  <Cat> (1,435)
P3308

>  <Name> (1,435)
WAY-300385

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
Anti-infection

>  <Form> (1,435)
free base

>  <CAS> (1,435)
500188-71-6

>  <URL> (1,435)
N/A

$$$$
WAY-300442
csChFnd80/07272117312D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4034    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 18 22  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,436)
1309

>  <Formula> (1,436)
C18H11BrN2O4

>  <MolWeight> (1,436)
399.19494

>  <Cat> (1,436)
P3309

>  <Name> (1,436)
WAY-300442

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
ATP-kinase

>  <Form> (1,436)
free base

>  <CAS> (1,436)
333773-08-3

>  <URL> (1,436)
N/A

$$$$
WAY-384934
csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5125   -6.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1500   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1292   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -7.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625  -10.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0625  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 28  2  0  0  0  0
  5  3  1  0  0  0  0
 27 19  2  0  0  0  0
 17 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,437)
1310

>  <Formula> (1,437)
C24H22N4O2

>  <MolWeight> (1,437)
398.45708

>  <Cat> (1,437)
P3420

>  <Name> (1,437)
WAY-384934

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
pyruvate kinase

>  <Form> (1,437)
free base

>  <CAS> (1,437)
498568-75-5

>  <URL> (1,437)
N/A

$$$$
WAY-388796
csChFnd80/07272117312D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.0333   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2875    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7083   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1083    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9833    1.9208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5625    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3833    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9583    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,438)
1311

>  <Formula> (1,438)
C11H11ClN2S

>  <MolWeight> (1,438)
238.73644

>  <Cat> (1,438)
P3421

>  <Name> (1,438)
WAY-388796

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,438)
free base

>  <CAS> (1,438)
40106-58-9

>  <URL> (1,438)
N/A

$$$$
WAY-388798
csChFnd80/07272117312D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.1793    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2517    0.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.2069    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1000   -1.0379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,439)
1312

>  <Formula> (1,439)
C7H5ClN2OS

>  <MolWeight> (1,439)
200.6454

>  <Cat> (1,439)
P3422

>  <Name> (1,439)
WAY-388798

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,439)
free base

>  <CAS> (1,439)
63417-81-2

>  <URL> (1,439)
N/A

$$$$
WAY-346940
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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free base

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392246-66-1

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N/A

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WAY-347243
csChFnd80/07272117312D

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free base

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N/A

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WAY-347626
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756843-31-9

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N/A

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WAY-347806
csChFnd80/07272117312D

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free base

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757198-76-8

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WAY-349807
csChFnd80/07272117312D

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544662-95-5

>  <URL> (1,444)
N/A

$$$$
WAY-349858
csChFnd80/07272117312D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 15  1  0  0  0  0
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 17  4  1  0  0  0  0
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 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,445)
1318

>  <Formula> (1,445)
C15H16N2O4S

>  <MolWeight> (1,445)
320.36354

>  <Cat> (1,445)
P3398

>  <Name> (1,445)
WAY-349858

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
c-Jun N-terminal kinase

>  <Form> (1,445)
free base

>  <CAS> (1,445)
771503-50-5

>  <URL> (1,445)
N/A

$$$$
WAY-350732
csChFnd80/07272117312D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
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 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,446)
1319

>  <Formula> (1,446)
C13H11BrN2O2S

>  <MolWeight> (1,446)
339.20764

>  <Cat> (1,446)
P3399

>  <Name> (1,446)
WAY-350732

>  <Synonyms> (1,446)
N/A

>  <Target> (1,446)
c-Jun N-terminal kinase

>  <Form> (1,446)
free base

>  <CAS> (1,446)
438602-71-2

>  <URL> (1,446)
N/A

$$$$
WAY-351429
csChFnd80/07272117312D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  8  6  1  0  0  0  0
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 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,447)
1320

>  <Formula> (1,447)
C21H23N3O4

>  <MolWeight> (1,447)
381.42502

>  <Cat> (1,447)
P3400

>  <Name> (1,447)
WAY-351429

>  <Synonyms> (1,447)
N/A

>  <Target> (1,447)
choline kinase

>  <Form> (1,447)
free base

>  <CAS> (1,447)
451474-95-6

>  <URL> (1,447)
N/A

$$$$
WAY-351812
csChFnd80/07272117312D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
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  6  2  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
  6  5  1  0  0  0  0
  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,448)
1321

>  <Formula> (1,448)
C15H14F3N3O3S

>  <MolWeight> (1,448)
373.3501696

>  <Cat> (1,448)
P3402

>  <Name> (1,448)
WAY-351812

>  <Synonyms> (1,448)
N/A

>  <Target> (1,448)
CDK8

>  <Form> (1,448)
free base

>  <CAS> (1,448)
471289-61-9

>  <URL> (1,448)
N/A

$$$$
WAY-352098
csChFnd80/07272117312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 16  9  1  0  0  0  0
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 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,449)
1322

>  <Formula> (1,449)
C17H12F3N5O2S

>  <MolWeight> (1,449)
407.3696896

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P3403

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N/A

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WAY-352753
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N/A

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GSK-3

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free base

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478482-74-5

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N/A

$$$$
WAY-353591
csChFnd80/07272117312D

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N/A

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free base

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454427-09-9

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N/A

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WAY-353890
csChFnd80/07272117312D

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WAY-353890

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N/A

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FGFR1

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free base

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459137-97-4

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N/A

$$$$
WAY-354189
csChFnd80/07272117312D

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JAK-STAT

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free base

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850019-35-1

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N/A

$$$$
GI-570261
csChFnd80/07272117312D

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GI-570261

>  <Synonyms> (1,454)
N/A

>  <Target> (1,454)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,454)
free base

>  <CAS> (1,454)
301357-76-6

>  <URL> (1,454)
N/A

$$$$
WAY-352835
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,455)
1328

>  <Formula> (1,455)
C16H15N3OS

>  <MolWeight> (1,455)
297.3748

>  <Cat> (1,455)
P3405

>  <Name> (1,455)
WAY-352835

>  <Synonyms> (1,455)
N/A

>  <Target> (1,455)
tyrosine kinase

>  <Form> (1,455)
free base

>  <CAS> (1,455)
401638-52-6

>  <URL> (1,455)
N/A

$$$$
WAY-354831
csChFnd80/07272117312D

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 12 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,456)
1329

>  <Formula> (1,456)
C15H10FN3O3

>  <MolWeight> (1,456)
299.2566032

>  <Cat> (1,456)
P3409

>  <Name> (1,456)
WAY-354831

>  <Synonyms> (1,456)
N/A

>  <Target> (1,456)
c-Met 

>  <Form> (1,456)
free base

>  <CAS> (1,456)
330572-32-2

>  <URL> (1,456)
N/A

$$$$
WAY-354890
csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,457)
1330

>  <Formula> (1,457)
C17H16FN3S

>  <MolWeight> (1,457)
313.3924432

>  <Cat> (1,457)
P3410

>  <Name> (1,457)
WAY-354890

>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
EGFR 

>  <Form> (1,457)
free base

>  <CAS> (1,457)
852407-49-9

>  <URL> (1,457)
N/A

$$$$
WAY-355772
csChFnd80/07272117312D

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 13  8  2  0  0  0  0
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 15  7  1  0  0  0  0
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 14 28  1  0  0  0  0
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M  END
>  <Mol_ID> (1,458)
1331

>  <Formula> (1,458)
C19H13F3N2O4S

>  <MolWeight> (1,458)
422.3777296

>  <Cat> (1,458)
P3411

>  <Name> (1,458)
WAY-355772

>  <Synonyms> (1,458)
N/A

>  <Target> (1,458)
serine/threonine kinase

>  <Form> (1,458)
free base

>  <CAS> (1,458)
442658-33-5

>  <URL> (1,458)
N/A

$$$$
WAY-357919
csChFnd80/07272117312D

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 17 23  1  0  0  0  0
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M  END
>  <Mol_ID> (1,459)
1332

>  <Formula> (1,459)
C18H16N2O2S

>  <MolWeight> (1,459)
324.39684

>  <Cat> (1,459)
P3412

>  <Name> (1,459)
WAY-357919

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
VEGFR

>  <Form> (1,459)
free base

>  <CAS> (1,459)
298207-77-9

>  <URL> (1,459)
N/A

$$$$
WAY-358024
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,460)
1333

>  <Formula> (1,460)
C15H11N3O3

>  <MolWeight> (1,460)
281.26614

>  <Cat> (1,460)
P3413

>  <Name> (1,460)
WAY-358024

>  <Synonyms> (1,460)
N/A

>  <Target> (1,460)
GSK-3b

>  <Form> (1,460)
free base

>  <CAS> (1,460)
70169-39-0

>  <URL> (1,460)
N/A

$$$$
WAY-358667-A
csChFnd80/07272117312D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,461)
1334

>  <Formula> (1,461)
C12H8N2S2

>  <MolWeight> (1,461)
244.33532

>  <Cat> (1,461)
P3414

>  <Name> (1,461)
WAY-358667-A

>  <Synonyms> (1,461)
N/A

>  <Target> (1,461)
Human protein kinase CK2

>  <Form> (1,461)
free base

>  <CAS> (1,461)
182198-89-6

>  <URL> (1,461)
N/A

$$$$
WAY-358981
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,462)
1335

>  <Formula> (1,462)
C14H12N4O

>  <MolWeight> (1,462)
252.27128

>  <Cat> (1,462)
P3415

>  <Name> (1,462)
WAY-358981

>  <Synonyms> (1,462)
N/A

>  <Target> (1,462)
sphingosine kinase

>  <Form> (1,462)
free base

>  <CAS> (1,462)
307322-32-3

>  <URL> (1,462)
N/A

$$$$
WAY-359594
csChFnd80/07272117312D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
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 23 10  1  0  0  0  0
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 27 21  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,463)
1336

>  <Formula> (1,463)
C23H21N3O2

>  <MolWeight> (1,463)
371.43174

>  <Cat> (1,463)
P3416

>  <Name> (1,463)
WAY-359594

>  <Synonyms> (1,463)
N/A

>  <Target> (1,463)
G protein coupled receptor 6 kinase

>  <Form> (1,463)
free base

>  <CAS> (1,463)
33495-39-5

>  <URL> (1,463)
N/A

$$$$
WAY-381785
csChFnd80/07272117312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,464)
1337

>  <Formula> (1,464)
C20H23N3O

>  <MolWeight> (1,464)
321.41612

>  <Cat> (1,464)
P3417

>  <Name> (1,464)
WAY-381785

>  <Synonyms> (1,464)
N/A

>  <Target> (1,464)
GSK3

>  <Form> (1,464)
free base

>  <CAS> (1,464)
511239-29-5

>  <URL> (1,464)
N/A

$$$$
WAY-313201
csChFnd80/07272117312D

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 GSK-3b

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free base

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571904-77-3

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N/A

$$$$
WAY-311972
csChFnd80/07272117312D

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WAY-311972

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N/A

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ATP-kinases

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free base

>  <CAS> (1,466)
606948-76-9

>  <URL> (1,466)
N/A

$$$$
WAY-113178
csChFnd80/07272117312D

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WAY-113178

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
IkB kinase-beta 

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free base

>  <CAS> (1,467)
638999-98-1

>  <URL> (1,467)
N/A

$$$$
WAY-344977
csChFnd80/07272117312D

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1341

>  <Formula> (1,468)
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376.86048

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WAY-344977

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N/A

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GSK-3

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free base

>  <CAS> (1,468)
686743-57-7

>  <URL> (1,468)
N/A

$$$$
WAY-310507
csChFnd80/07272117312D

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1342

>  <Formula> (1,469)
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WAY-310507

>  <Synonyms> (1,469)
N/A

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Anti-infection

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free base

>  <CAS> (1,469)
686743-93-1

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N/A

$$$$
WAY-310944
csChFnd80/07272117312D

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Anti-infection

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free base

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688335-53-7

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N/A

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WAY-310334
csChFnd80/07272117312D

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mPGES-1,human protein kinase CK2

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free base

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688335-72-0

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N/A

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WAY-310819
csChFnd80/07272117312D

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B-Raf

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free base

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326918-98-3

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N/A

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CL-59089
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3008-61-5

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N/A

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WAY-616312
csChFnd80/07272117312D

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sirtuin,Rho,CDK

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free base

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730946-98-2

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N/A

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WAY-624687
csChFnd80/07272117312D

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753473-65-3

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N/A

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WAY-330162
csChFnd80/07272117312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   11.2375   -4.6375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2125   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -5.4250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0750   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8875   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9375   -4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -7.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -3.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9500   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6250   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -7.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -6.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3125   -5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  2  0  0  0  0
 19 10  2  0  0  0  0
 20 16  1  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24  5  1  0  0  0  0
 25 23  1  0  0  0  0
 26  6  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 29 27  1  0  0  0  0
 30 25  1  0  0  0  0
  4  8  1  0  0  0  0
  9  7  2  0  0  0  0
 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,476)
1349

>  <Formula> (1,476)
C22H26N2O5S

>  <MolWeight> (1,476)
430.51724

>  <Cat> (1,476)
P3377

>  <Name> (1,476)
WAY-330162

>  <Synonyms> (1,476)
N/A

>  <Target> (1,476)
Kinase

>  <Form> (1,476)
free base

>  <CAS> (1,476)
868963-46-6

>  <URL> (1,476)
N/A

$$$$
WAY-333883
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.9667    5.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9667    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8292    7.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3750    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.0000    4.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 19  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,477)
1350

>  <Formula> (1,477)
C16H16Cl2N4O

>  <MolWeight> (1,477)
351.23044

>  <Cat> (1,477)
P3382

>  <Name> (1,477)
WAY-333883

>  <Synonyms> (1,477)
N/A

>  <Target> (1,477)
pyruvate kinase

>  <Form> (1,477)
free base

>  <CAS> (1,477)
863448-35-5

>  <URL> (1,477)
N/A

$$$$
WAY-333875
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9333    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3458    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
  7 10  2  0  0  0  0
  6  5  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,478)
1351

>  <Formula> (1,478)
C16H16ClFN4O

>  <MolWeight> (1,478)
334.7758432

>  <Cat> (1,478)
P3380

>  <Name> (1,478)
WAY-333875

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
pyruvate kinase

>  <Form> (1,478)
free base

>  <CAS> (1,478)
863448-22-0

>  <URL> (1,478)
N/A

$$$$
WAY-333878
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3542    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9125    5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5542    7.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7292    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1500    5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  7  9  2  0  0  0  0
  6  5  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,479)
1352

>  <Formula> (1,479)
C18H22N4O

>  <MolWeight> (1,479)
310.39348

>  <Cat> (1,479)
P3381

>  <Name> (1,479)
WAY-333878

>  <Synonyms> (1,479)
N/A

>  <Target> (1,479)
pyruvate kinase

>  <Form> (1,479)
free base

>  <CAS> (1,479)
863448-25-3

>  <URL> (1,479)
N/A

$$$$
WAY-329412
csChFnd80/07272117312D

 33 37  0  0  0  0  0  0  0  0999 V2000
   14.2375  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7875  -12.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4000  -11.1125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1750  -10.8500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9500  -13.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375  -11.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7250  -12.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4875  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875   -9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -9.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3375  -14.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0625   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1000   -5.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000   -5.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2750  -12.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6625  -13.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0875   -6.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
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free base

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N/A

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WAY-329689
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>  <MolWeight> (1,481)
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>  <Synonyms> (1,481)
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>  <Target> (1,481)
Abl

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free base

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943934-76-7

>  <URL> (1,481)
N/A

$$$$
WAY-329424
csChFnd80/07272117312D

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>  <Synonyms> (1,482)
N/A

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Abl

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free base

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943933-52-6

>  <URL> (1,482)
N/A

$$$$
WAY-329686
csChFnd80/07272117312D

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>  <Formula> (1,483)
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>  <MolWeight> (1,483)
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>  <Cat> (1,483)
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>  <Name> (1,483)
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>  <Synonyms> (1,483)
N/A

>  <Target> (1,483)
Abl

>  <Form> (1,483)
free base

>  <CAS> (1,483)
943934-31-4

>  <URL> (1,483)
N/A

$$$$
WAY-329410
csChFnd80/07272117312D

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free base

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943932-62-5

>  <URL> (1,484)
N/A

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WAY-329685
csChFnd80/07272117312D

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>  <MolWeight> (1,485)
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>  <Cat> (1,485)
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>  <Name> (1,485)
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>  <Synonyms> (1,485)
N/A

>  <Target> (1,485)
Abl

>  <Form> (1,485)
free base

>  <CAS> (1,485)
943934-25-6

>  <URL> (1,485)
N/A

$$$$
WAY-329423
csChFnd80/07272117312D

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>  <Formula> (1,486)
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>  <MolWeight> (1,486)
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>  <Cat> (1,486)
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>  <Name> (1,486)
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>  <Synonyms> (1,486)
N/A

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Abl

>  <Form> (1,486)
free base

>  <CAS> (1,486)
943933-49-1

>  <URL> (1,486)
N/A

$$$$
WAY-329356
csChFnd80/07272117312D

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>  <Formula> (1,487)
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>  <MolWeight> (1,487)
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>  <Cat> (1,487)
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>  <Name> (1,487)
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>  <Synonyms> (1,487)
N/A

>  <Target> (1,487)
Abl

>  <Form> (1,487)
free base

>  <CAS> (1,487)
943932-17-0

>  <URL> (1,487)
N/A

$$$$
WAY-329341
csChFnd80/07272117312D

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>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
Abl

>  <Form> (1,488)
free base

>  <CAS> (1,488)
943931-29-1

>  <URL> (1,488)
N/A

$$$$
WAY-329340
csChFnd80/07272117312D

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>  <Mol_ID> (1,489)
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>  <Formula> (1,489)
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389.49008

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>  <Name> (1,489)
WAY-329340

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
Abl

>  <Form> (1,489)
free base

>  <CAS> (1,489)
943931-23-5

>  <URL> (1,489)
N/A

$$$$
WAY-641918
csChFnd80/07272117312D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,490)
1363

>  <Formula> (1,490)
C25H24N2O3

>  <MolWeight> (1,490)
400.46966

>  <Cat> (1,490)
P3498

>  <Name> (1,490)
WAY-641918

>  <Synonyms> (1,490)
N/A

>  <Target> (1,490)
TAO kinase

>  <Form> (1,490)
free base

>  <CAS> (1,490)
850467-77-5

>  <URL> (1,490)
N/A

$$$$
WAY-278459-A
csChFnd80/07272117312D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,491)
1364

>  <Formula> (1,491)
C11H12N2OS

>  <MolWeight> (1,491)
220.29078

>  <Cat> (1,491)
P3291

>  <Name> (1,491)
WAY-278459-A

>  <Synonyms> (1,491)
N/A

>  <Target> (1,491)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (1,491)
free base

>  <CAS> (1,491)
105512-88-7

>  <URL> (1,491)
N/A

$$$$
WAY-278559-A
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,492)
1365

>  <Formula> (1,492)
C17H23N3O

>  <MolWeight> (1,492)
285.38402

>  <Cat> (1,492)
P3294

>  <Name> (1,492)
WAY-278559-A

>  <Synonyms> (1,492)
N/A

>  <Target> (1,492)
ethanolamine kinase

>  <Form> (1,492)
free base

>  <CAS> (1,492)
301330-81-4

>  <URL> (1,492)
N/A

$$$$
WAY-642481
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,493)
1366

>  <Formula> (1,493)
C17H16N2OS

>  <MolWeight> (1,493)
296.38674

>  <Cat> (1,493)
P3501

>  <Name> (1,493)
WAY-642481

>  <Synonyms> (1,493)
N/A

>  <Target> (1,493)
CDK

>  <Form> (1,493)
free base

>  <CAS> (1,493)
22312-45-4

>  <URL> (1,493)
N/A

$$$$
WAY-643632-A
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,494)
1367

>  <Formula> (1,494)
C11H14N2O2

>  <MolWeight> (1,494)
206.24106

>  <Cat> (1,494)
P3502

>  <Name> (1,494)
WAY-643632-A

>  <Synonyms> (1,494)
N/A

>  <Target> (1,494)
SRC kinase,TTX-S channel

>  <Form> (1,494)
free base

>  <CAS> (1,494)
500356-88-7

>  <URL> (1,494)
N/A

$$$$
WAY-616763
csChFnd80/07272117312D

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 11  1  2  0  0  0  0
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 20  7  2  0  0  0  0
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 28  9  1  0  0  0  0
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  9  6  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,495)
1368

>  <Formula> (1,495)
C18H15Cl2N3O4S

>  <MolWeight> (1,495)
440.3004

>  <Cat> (1,495)
P3456

>  <Name> (1,495)
WAY-616763

>  <Synonyms> (1,495)
N/A

>  <Target> (1,495)
Anti-infection

>  <Form> (1,495)
free base

>  <CAS> (1,495)
735303-62-5

>  <URL> (1,495)
N/A

$$$$
WAY-641966
csChFnd80/07272117312D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,496)
1369

>  <Formula> (1,496)
C20H16N4

>  <MolWeight> (1,496)
312.36784

>  <Cat> (1,496)
P3499

>  <Name> (1,496)
WAY-641966

>  <Synonyms> (1,496)
N/A

>  <Target> (1,496)
TGF-¦Â,p38-¦Á

>  <Form> (1,496)
free base

>  <CAS> (1,496)
259870-32-1

>  <URL> (1,496)
N/A

$$$$
WAY-642424
csChFnd80/07272117312D

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 10  6  1  0  0  0  0
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 18  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,497)
1370

>  <Formula> (1,497)
C19H14FN5OS

>  <MolWeight> (1,497)
379.4107632

>  <Cat> (1,497)
P3500

>  <Name> (1,497)
WAY-642424

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
Casein kinase 1¦Ä

>  <Form> (1,497)
free base

>  <CAS> (1,497)
851396-73-1

>  <URL> (1,497)
N/A

$$$$
WAY-329592
csChFnd80/07272117312D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,498)
1371

>  <Formula> (1,498)
C22H25BrN2O4S

>  <MolWeight> (1,498)
493.4139

>  <Cat> (1,498)
P3368

>  <Name> (1,498)
WAY-329592

>  <Synonyms> (1,498)
N/A

>  <Target> (1,498)
tyrosine kinase

>  <Form> (1,498)
free base

>  <CAS> (1,498)
868963-53-5

>  <URL> (1,498)
N/A

$$$$
WAY-333939
csChFnd80/07272117312D

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 21 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,499)
1372

>  <Formula> (1,499)
C19H21N5O2

>  <MolWeight> (1,499)
351.40234

>  <Cat> (1,499)
P3384

>  <Name> (1,499)
WAY-333939

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
Anti-infection

>  <Form> (1,499)
free base

>  <CAS> (1,499)
689268-14-2

>  <URL> (1,499)
N/A

$$$$
WAY-333908
csChFnd80/07272117312D

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 14 10  2  0  0  0  0
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 17 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,500)
1373

>  <Formula> (1,500)
C17H12N6O2

>  <MolWeight> (1,500)
332.31618

>  <Cat> (1,500)
P3383

>  <Name> (1,500)
WAY-333908

>  <Synonyms> (1,500)
N/A

>  <Target> (1,500)
others

>  <Form> (1,500)
free base

>  <CAS> (1,500)
689269-24-7

>  <URL> (1,500)
N/A

$$$$
WAY-333945
csChFnd80/07272117312D

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 10  5  1  0  0  0  0
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 16 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,501)
1374

>  <Formula> (1,501)
C17H13N5O2S

>  <MolWeight> (1,501)
351.38242

>  <Cat> (1,501)
P3385

>  <Name> (1,501)
WAY-333945

>  <Synonyms> (1,501)
N/A

>  <Target> (1,501)
Anti-infection

>  <Form> (1,501)
free base

>  <CAS> (1,501)
689273-45-8

>  <URL> (1,501)
N/A

$$$$
WAY-616584
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,502)
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>  <Name> (1,502)
WAY-616584

>  <Synonyms> (1,502)
N/A

>  <Target> (1,502)
Casein kinase 1¦Ä

>  <Form> (1,502)
free base

>  <CAS> (1,502)
695223-53-1

>  <URL> (1,502)
N/A

$$$$
WAY-625530
csChFnd80/07272117312D

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>  <Mol_ID> (1,503)
1376

>  <Formula> (1,503)
C22H18ClFN2O3

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412.8413232

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>  <Name> (1,503)
WAY-625530

>  <Synonyms> (1,503)
N/A

>  <Target> (1,503)
FGFR1

>  <Form> (1,503)
free base

>  <CAS> (1,503)
956782-57-3

>  <URL> (1,503)
N/A

$$$$
WAY-625741
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,504)
1377

>  <Formula> (1,504)
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343.35712

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P3467

>  <Name> (1,504)
WAY-625741

>  <Synonyms> (1,504)
N/A

>  <Target> (1,504)
Casein kinase 1d

>  <Form> (1,504)
free base

>  <CAS> (1,504)
756857-71-3

>  <URL> (1,504)
N/A

$$$$
WAY-626116
csChFnd80/07272117312D

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>  <Mol_ID> (1,505)
1378

>  <Formula> (1,505)
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>  <Name> (1,505)
WAY-626116

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
Casein kinase 1d

>  <Form> (1,505)
free base

>  <CAS> (1,505)
753468-25-6

>  <URL> (1,505)
N/A

$$$$
WAY-273170
csChFnd80/07272117312D

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>  <Mol_ID> (1,506)
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>  <Formula> (1,506)
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>  <MolWeight> (1,506)
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>  <Cat> (1,506)
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>  <Name> (1,506)
WAY-273170

>  <Synonyms> (1,506)
N/A

>  <Target> (1,506)
Myt1

>  <Form> (1,506)
free base

>  <CAS> (1,506)
478247-52-8

>  <URL> (1,506)
N/A

$$$$
WAY-277054
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,507)
1380

>  <Formula> (1,507)
C16H11ClFN3OS2

>  <MolWeight> (1,507)
379.8594432

>  <Cat> (1,507)
P3290

>  <Name> (1,507)
WAY-277054

>  <Synonyms> (1,507)
N/A

>  <Target> (1,507)
tyrosine kinase

>  <Form> (1,507)
free base

>  <CAS> (1,507)
753467-39-9?

>  <URL> (1,507)
N/A

$$$$
WAY-336715
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,508)
1381

>  <Formula> (1,508)
C21H20N4OS

>  <MolWeight> (1,508)
376.4747

>  <Cat> (1,508)
P3386

>  <Name> (1,508)
WAY-336715

>  <Synonyms> (1,508)
N/A

>  <Target> (1,508)
CDK8

>  <Form> (1,508)
free base

>  <CAS> (1,508)
451458-32-5

>  <URL> (1,508)
N/A

$$$$
WAY-337647
csChFnd80/07272117312D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,509)
1382

>  <Formula> (1,509)
C15H12ClNO4

>  <MolWeight> (1,509)
305.71308

>  <Cat> (1,509)
P3387

>  <Name> (1,509)
WAY-337647

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,509)
free base

>  <CAS> (1,509)
1402605-80-4

>  <URL> (1,509)
N/A

$$$$
WAY-612453
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,510)
1383

>  <Formula> (1,510)
C9H8Cl2N4S

>  <MolWeight> (1,510)
275.15762

>  <Cat> (1,510)
P3446

>  <Name> (1,510)
WAY-612453

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
Anti-infection

>  <Form> (1,510)
free base

>  <CAS> (1,510)
300809-10-3

>  <URL> (1,510)
N/A

$$$$
WAY-612622
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,511)
1384

>  <Formula> (1,511)
C16H11FN2O2

>  <MolWeight> (1,511)
282.2691432

>  <Cat> (1,511)
P3447

>  <Name> (1,511)
WAY-612622

>  <Synonyms> (1,511)
N/A

>  <Target> (1,511)
CDK

>  <Form> (1,511)
free base

>  <CAS> (1,511)
288401-60-5

>  <URL> (1,511)
N/A

$$$$
WAY-612698
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,512)
1385

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C17H19NO4S

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>  <Name> (1,512)
WAY-612698

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,512)
free base

>  <CAS> (1,512)
565191-45-9

>  <URL> (1,512)
N/A

$$$$
WAY-612763
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,513)
1386

>  <Formula> (1,513)
C21H15ClF3N3O5

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481.8091096

>  <Cat> (1,513)
P3449

>  <Name> (1,513)
WAY-612763

>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
YycG histidine kinase

>  <Form> (1,513)
free base

>  <CAS> (1,513)
479060-67-8

>  <URL> (1,513)
N/A

$$$$
WAY-630308
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,514)
1387

>  <Formula> (1,514)
C16H21N3O3

>  <MolWeight> (1,514)
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>  <Cat> (1,514)
P3469

>  <Name> (1,514)
WAY-630308

>  <Synonyms> (1,514)
N/A

>  <Target> (1,514)
Casein kinase 1¦Ä

>  <Form> (1,514)
free base

>  <CAS> (1,514)
326034-30-4

>  <URL> (1,514)
N/A

$$$$
WAY-630363
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,515)
1388

>  <Formula> (1,515)
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>  <MolWeight> (1,515)
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>  <Cat> (1,515)
P3470

>  <Name> (1,515)
WAY-630363

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
Casein kinase 1¦Ä

>  <Form> (1,515)
free base

>  <CAS> (1,515)
729579-66-2

>  <URL> (1,515)
N/A

$$$$
WAY-647361
csChFnd80/07272117312D

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>  <Mol_ID> (1,516)
1389

>  <Formula> (1,516)
C8H6N2O4

>  <MolWeight> (1,516)
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>  <Cat> (1,516)
P3504

>  <Name> (1,516)
WAY-647361

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
 PI3K

>  <Form> (1,516)
free base

>  <CAS> (1,516)
852399-94-1

>  <URL> (1,516)
N/A

$$$$
WAY-647636
csChFnd80/07272117312D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
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430.47902

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P3505

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WAY-647636

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
Casein kinase 1¦Ä

>  <Form> (1,517)
free base

>  <CAS> (1,517)
556055-08-4

>  <URL> (1,517)
N/A

$$$$
WAY-647729
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,518)
1391

>  <Formula> (1,518)
C16H11N3OS

>  <MolWeight> (1,518)
293.34304

>  <Cat> (1,518)
P3506

>  <Name> (1,518)
WAY-647729

>  <Synonyms> (1,518)
N/A

>  <Target> (1,518)
CDK

>  <Form> (1,518)
free base

>  <CAS> (1,518)
852678-17-2

>  <URL> (1,518)
N/A

$$$$
WAY-647766
csChFnd80/07272117312D

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>  <Mol_ID> (1,519)
1392

>  <Formula> (1,519)
C16H12N6S

>  <MolWeight> (1,519)
320.37168

>  <Cat> (1,519)
P3507

>  <Name> (1,519)
WAY-647766

>  <Synonyms> (1,519)
N/A

>  <Target> (1,519)
Casein kinase 1¦Ä

>  <Form> (1,519)
free base

>  <CAS> (1,519)
851168-98-4

>  <URL> (1,519)
N/A

$$$$
WAY-647802
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,520)
1393

>  <Formula> (1,520)
C11H14N4O3

>  <MolWeight> (1,520)
250.25386

>  <Cat> (1,520)
P3508

>  <Name> (1,520)
WAY-647802

>  <Synonyms> (1,520)
N/A

>  <Target> (1,520)
EGFR,CDK4 and 6

>  <Form> (1,520)
free base

>  <CAS> (1,520)
852225-20-8

>  <URL> (1,520)
N/A

$$$$
WAY-648936
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,521)
1394

>  <Formula> (1,521)
C13H10N4O

>  <MolWeight> (1,521)
238.2447

>  <Cat> (1,521)
P3509

>  <Name> (1,521)
WAY-648936

>  <Synonyms> (1,521)
N/A

>  <Target> (1,521)
CDK

>  <Form> (1,521)
free base

>  <CAS> (1,521)
796888-73-8

>  <URL> (1,521)
N/A

$$$$
WAY-649123
csChFnd80/07272117312D

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801244-46-2

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WAY-333184
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WAY-643018
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WAY-332616
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WAY-332647
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M  END
>  <Mol_ID> (1,528)
1401

>  <Formula> (1,528)
C19H21NO3S

>  <MolWeight> (1,528)
343.43994

>  <Cat> (1,528)
P3767

>  <Name> (1,528)
WAY-332647

>  <Synonyms> (1,528)
N/A

>  <Target> (1,528)
pyruvate kinase

>  <Form> (1,528)
free base

>  <CAS> (1,528)
902516-53-4

>  <URL> (1,528)
N/A

$$$$
WAY-624704
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,529)
1402

>  <Formula> (1,529)
C17H15N3O2S

>  <MolWeight> (1,529)
325.3849

>  <Cat> (1,529)
P3766

>  <Name> (1,529)
WAY-624704

>  <Synonyms> (1,529)
N/A

>  <Target> (1,529)
ROCK

>  <Form> (1,529)
free base

>  <CAS> (1,529)
692869-38-8

>  <URL> (1,529)
N/A

$$$$
WAY-625135
csChFnd80/07272117312D

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 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
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 16  9  2  0  0  0  0
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 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,530)
1403

>  <Formula> (1,530)
C14H12N2O3S

>  <MolWeight> (1,530)
288.32168

>  <Cat> (1,530)
P3707

>  <Name> (1,530)
WAY-625135

>  <Synonyms> (1,530)
N/A

>  <Target> (1,530)
Casein kinase 1¦Ä

>  <Form> (1,530)
free base

>  <CAS> (1,530)
756865-45-9

>  <URL> (1,530)
N/A

$$$$
WAY-626309
csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
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M  END
>  <Mol_ID> (1,531)
1404

>  <Formula> (1,531)
C19H16N2O2S

>  <MolWeight> (1,531)
336.40754

>  <Cat> (1,531)
P3765

>  <Name> (1,531)
WAY-626309

>  <Synonyms> (1,531)
N/A

>  <Target> (1,531)
c-Jun N-terminal kinase

>  <Form> (1,531)
free base

>  <CAS> (1,531)
756849-36-2

>  <URL> (1,531)
N/A

$$$$
WAY-646458
csChFnd80/07272117312D

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 14  4  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
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 20 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,532)
1405

>  <Formula> (1,532)
C16H10N2O2

>  <MolWeight> (1,532)
262.2628

>  <Cat> (1,532)
P3706

>  <Name> (1,532)
WAY-646458

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Casein kinase 1d

>  <Form> (1,532)
free base

>  <CAS> (1,532)
852413-92-4

>  <URL> (1,532)
N/A

$$$$
WAY-313318
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,533)
1406

>  <Formula> (1,533)
C13H10Cl2N4

>  <MolWeight> (1,533)
293.1513

>  <Cat> (1,533)
P3734

>  <Name> (1,533)
WAY-313318

>  <Synonyms> (1,533)
N/A

>  <Target> (1,533)
RSK2

>  <Form> (1,533)
free base

>  <CAS> (1,533)
351993-88-9

>  <URL> (1,533)
N/A

$$$$
WAY-239448
csChFnd80/07272117312D

 15 17  0  0  0  0  0  0  0  0999 V2000
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    7.2060    1.2029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1504    3.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5728    2.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2697    0.7574    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
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 12  7  2  0  0  0  0
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  3  4  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,534)
1407

>  <Formula> (1,534)
C11H12N2S2

>  <MolWeight> (1,534)
236.35638

>  <Cat> (1,534)
P3683

>  <Name> (1,534)
WAY-239448

>  <Synonyms> (1,534)
N/A

>  <Target> (1,534)
CK2,Anti-infection

>  <Form> (1,534)
free base

>  <CAS> (1,534)
314260-78-1

>  <URL> (1,534)
N/A

$$$$
WAY-299562
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7034    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,535)
1408

>  <Formula> (1,535)
C16H13NO3

>  <MolWeight> (1,535)
267.27932

>  <Cat> (1,535)
P3698

>  <Name> (1,535)
WAY-299562

>  <Synonyms> (1,535)
N/A

>  <Target> (1,535)
PKA,AKAP

>  <Form> (1,535)
free base

>  <CAS> (1,535)
299934-88-6

>  <URL> (1,535)
N/A

$$$$
WAY-300507
csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,536)
1409

>  <Formula> (1,536)
C18H15NO3S2

>  <MolWeight> (1,536)
357.4466

>  <Cat> (1,536)
P3774

>  <Name> (1,536)
WAY-300507

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
beta-catenin,MKK4

>  <Form> (1,536)
free base

>  <CAS> (1,536)
301688-74-4

>  <URL> (1,536)
N/A

$$$$
WAY-301524-A
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   -0.8069    2.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,537)
1410

>  <Formula> (1,537)
C15H13N3O2S

>  <MolWeight> (1,537)
299.34762

>  <Cat> (1,537)
P3725

>  <Name> (1,537)
WAY-301524-A

>  <Synonyms> (1,537)
N/A

>  <Target> (1,537)
CK2

>  <Form> (1,537)
free base

>  <CAS> (1,537)
474263-21-3

>  <URL> (1,537)
N/A

$$$$
WAY-301527
csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.4788   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
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  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,538)
1411

>  <Formula> (1,538)
C16H15N3O2S

>  <MolWeight> (1,538)
313.3742

>  <Cat> (1,538)
P3747

>  <Name> (1,538)
WAY-301527

>  <Synonyms> (1,538)
N/A

>  <Target> (1,538)
Casein Kinase

>  <Form> (1,538)
free base

>  <CAS> (1,538)
315682-22-5

>  <URL> (1,538)
N/A

$$$$
WAY-388756
csChFnd80/07272117312D

 16 18  0  0  0  0  0  0  0  0999 V2000
    5.1042   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,539)
1412

>  <Formula> (1,539)
C11H7ClN2S2

>  <MolWeight> (1,539)
266.76968

>  <Cat> (1,539)
P3724

>  <Name> (1,539)
WAY-388756

>  <Synonyms> (1,539)
N/A

>  <Target> (1,539)
IKKb

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N/A

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WAY-310410
csChFnd80/07272117312D

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N/A

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WAY-297152
csChFnd80/07272117312D

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N/A

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WAY-297174
csChFnd80/07272117312D

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N/A

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WAY-297674
csChFnd80/07272117312D

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N/A

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WAY-298630
csChFnd80/07272117312D

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303134-93-2

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N/A

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WAY-299017
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M  END
>  <Mol_ID> (1,545)
1418

>  <Formula> (1,545)
C17H14N2O3

>  <MolWeight> (1,545)
294.30466

>  <Cat> (1,545)
P3730

>  <Name> (1,545)
WAY-299017

>  <Synonyms> (1,545)
N/A

>  <Target> (1,545)
PI3Ka

>  <Form> (1,545)
free base

>  <CAS> (1,545)
300803-79-6

>  <URL> (1,545)
N/A

$$$$
WAY-299359
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  4 10  2  0  0  0  0
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  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,546)
1419

>  <Formula> (1,546)
C14H18N2O3S

>  <MolWeight> (1,546)
294.36932

>  <Cat> (1,546)
P3729

>  <Name> (1,546)
WAY-299359

>  <Synonyms> (1,546)
N/A

>  <Target> (1,546)
FLT3, Tubulin

>  <Form> (1,546)
free base

>  <CAS> (1,546)
1005057-81-7

>  <URL> (1,546)
N/A

$$$$
WAY-117443
csChFnd80/07272117312D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  2  2  0  0  0  0
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 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
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 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  3  1  0  0  0  0
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 22 15  1  0  0  0  0
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 24 23  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,547)
1420

>  <Formula> (1,547)
C19H18O5

>  <MolWeight> (1,547)
326.34322

>  <Cat> (1,547)
P3752

>  <Name> (1,547)
WAY-117443

>  <Synonyms> (1,547)
N/A

>  <Target> (1,547)
GRK6,DOPA decarboxylase

>  <Form> (1,547)
free base

>  <CAS> (1,547)
1164562-43-9

>  <URL> (1,547)
N/A

$$$$
WAY-304191
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  6  7  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,548)
1421

>  <Formula> (1,548)
C18H25NO2

>  <MolWeight> (1,548)
287.3966

>  <Cat> (1,548)
P3745

>  <Name> (1,548)
WAY-304191

>  <Synonyms> (1,548)
N/A

>  <Target> (1,548)
FLT3 receptor

>  <Form> (1,548)
free base

>  <CAS> (1,548)
510724-22-8

>  <URL> (1,548)
N/A

$$$$
WAY-226683
csChFnd80/07272117312D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,549)
1422

>  <Formula> (1,549)
C14H14N2O3

>  <MolWeight> (1,549)
258.27256

>  <Cat> (1,549)
P3697

>  <Name> (1,549)
WAY-226683

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
Rho

>  <Form> (1,549)
free base

>  <CAS> (1,549)
309736-94-5

>  <URL> (1,549)
N/A

$$$$
WAY-306955
csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 20 22  1  0  0  0  0
  5  9  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,550)
1423

>  <Formula> (1,550)
C17H14N4S

>  <MolWeight> (1,550)
306.38486

>  <Cat> (1,550)
P3770

>  <Name> (1,550)
WAY-306955

>  <Synonyms> (1,550)
N/A

>  <Target> (1,550)
p38a MAPK

>  <Form> (1,550)
free base

>  <CAS> (1,550)
315703-48-1

>  <URL> (1,550)
N/A

$$$$
WAY-380153
csChFnd80/07272117312D

 17 18  0  0  0  0  0  0  0  0999 V2000
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WAY-311474
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WAY-312858
csChFnd80/07272117312D

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WAY-278705
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WAY-663387
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WAY-644841
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WAY-273339
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N/A

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WAY-277364
csChFnd80/07272117312D

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N/A

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Akt

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free base

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771498-80-7

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N/A

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WAY-337530
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>  <Synonyms> (1,559)
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332939-29-4

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N/A

$$$$
WAY-337532
csChFnd80/07272117312D

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>  <Formula> (1,560)
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>  <Synonyms> (1,560)
N/A

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CLK-1

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free base

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332939-49-8

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N/A

$$$$
WAY-628644
csChFnd80/07272117312D

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>  <Synonyms> (1,561)
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>  <Target> (1,561)
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free base

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377760-40-2

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N/A

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WAY-270250
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852367-46-5

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WAY-270252
csChFnd80/07272117312D

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N/A

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IGF-1R,SRC

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free base

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61-38-1

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N/A

$$$$
WAY-615145
csChFnd80/07272117312D

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glucokinase

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free base

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536736-95-5

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N/A

$$$$
WAY-613982
csChFnd80/07272117312D

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330449-39-3

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N/A

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WAY-650334
csChFnd80/07272117312D

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MAP2K4

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free base

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847773-02-8

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N/A

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GI-570482
csChFnd80/07272117312D

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free base

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109164-47-8

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N/A

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WAY-272160
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M  END
>  <Mol_ID> (1,568)
1441

>  <Formula> (1,568)
C18H13ClN2O3

>  <MolWeight> (1,568)
340.76042

>  <Cat> (1,568)
P3737

>  <Name> (1,568)
WAY-272160

>  <Synonyms> (1,568)
N/A

>  <Target> (1,568)
 topoisomerase II,HER2

>  <Form> (1,568)
free base

>  <CAS> (1,568)
489413-54-9

>  <URL> (1,568)
N/A

$$$$
WAY-320461
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,569)
1442

>  <Formula> (1,569)
C15H10BrN3O2S

>  <MolWeight> (1,569)
376.2278

>  <Cat> (1,569)
P3760

>  <Name> (1,569)
WAY-320461

>  <Synonyms> (1,569)
N/A

>  <Target> (1,569)
FAK

>  <Form> (1,569)
free base

>  <CAS> (1,569)
491839-65-7

>  <URL> (1,569)
N/A

$$$$
WAY-603392
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,570)
1443

>  <Formula> (1,570)
C11H16N2O3S

>  <MolWeight> (1,570)
256.32134

>  <Cat> (1,570)
P3685

>  <Name> (1,570)
WAY-603392

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
AKT(PKB) phosphorylation,ion channel

>  <Form> (1,570)
free base

>  <CAS> (1,570)
329906-01-6

>  <URL> (1,570)
N/A

$$$$
WAY-321341
csChFnd80/07272117312D

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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,571)
1444

>  <Formula> (1,571)
C24H22N4O

>  <MolWeight> (1,571)
382.45768

>  <Cat> (1,571)
P3759

>  <Name> (1,571)
WAY-321341

>  <Synonyms> (1,571)
N/A

>  <Target> (1,571)
SYK,Immunology & Inflammation related

>  <Form> (1,571)
free base

>  <CAS> (1,571)
314027-66-2

>  <URL> (1,571)
N/A

$$$$
WAY-322243
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,572)
1445

>  <Formula> (1,572)
C18H18N2O2S

>  <MolWeight> (1,572)
326.41272

>  <Cat> (1,572)
P3736

>  <Name> (1,572)
WAY-322243

>  <Synonyms> (1,572)
N/A

>  <Target> (1,572)
CLK-1

>  <Form> (1,572)
free base

>  <CAS> (1,572)
332939-32-9

>  <URL> (1,572)
N/A

$$$$
WAY-313218
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,573)
1446

>  <Formula> (1,573)
C19H20FNO

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P3321

>  <Name> (1,573)
WAY-313218

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
11¦Â-HSD1 

>  <Form> (1,573)
free base

>  <CAS> (1,573)
260428-69-1

>  <URL> (1,573)
N/A

$$$$
WAY-313013
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,574)
1447

>  <Formula> (1,574)
C12H14BrNO2

>  <MolWeight> (1,574)
284.14906

>  <Cat> (1,574)
P3319

>  <Name> (1,574)
WAY-313013

>  <Synonyms> (1,574)
N/A

>  <Target> (1,574)
p38,histamine-3 (H3) receptor

>  <Form> (1,574)
free base

>  <CAS> (1,574)
326898-76-4

>  <URL> (1,574)
N/A

$$$$
GI-560708
csChFnd80/07272117312D

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  8 10  2  0  0  0  0
 15 17  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,575)
1448

>  <Formula> (1,575)
C20H18N4O2

>  <MolWeight> (1,575)
346.38252

>  <Cat> (1,575)
P3258

>  <Name> (1,575)
GI-560708

>  <Synonyms> (1,575)
N/A

>  <Target> (1,575)
BCR-ABL 

>  <Form> (1,575)
free base

>  <CAS> (1,575)
2362-25-6

>  <URL> (1,575)
N/A

$$$$
WAY-311066
csChFnd80/07272117312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,576)
1449

>  <Formula> (1,576)
C21H17N3O3

>  <MolWeight> (1,576)
359.37798

>  <Cat> (1,576)
P3314

>  <Name> (1,576)
WAY-311066

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
Casein kinase 1¦Ä

>  <Form> (1,576)
free base

>  <CAS> (1,576)
332074-85-8

>  <URL> (1,576)
N/A

$$$$
WAY-312567
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,577)
1450

>  <Formula> (1,577)
C16H20N2O2S

>  <MolWeight> (1,577)
304.4072

>  <Cat> (1,577)
P3317

>  <Name> (1,577)
WAY-312567

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
Anti-infection

>  <Form> (1,577)
free base

>  <CAS> (1,577)
330955-59-4

>  <URL> (1,577)
N/A

$$$$
WAY-312157
csChFnd80/07272117312D

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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,578)
1451

>  <Formula> (1,578)
C14H18N2O2S

>  <MolWeight> (1,578)
278.36992

>  <Cat> (1,578)
P3316

>  <Name> (1,578)
WAY-312157

>  <Synonyms> (1,578)
N/A

>  <Target> (1,578)
ATP-utilizing enzyme

>  <Form> (1,578)
free base

>  <CAS> (1,578)
354544-70-0

>  <URL> (1,578)
N/A

$$$$
WAY-114228
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,579)
1452

>  <Formula> (1,579)
C21H23NO

>  <MolWeight> (1,579)
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>  <Cat> (1,579)
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>  <Name> (1,579)
WAY-114228

>  <Synonyms> (1,579)
N/A

>  <Target> (1,579)
MEK1

>  <Form> (1,579)
free base

>  <CAS> (1,579)
333325-96-5

>  <URL> (1,579)
N/A

$$$$
WAY-239320
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,580)
1453

>  <Formula> (1,580)
C22H21N3O4

>  <MolWeight> (1,580)
391.41984

>  <Cat> (1,580)
P3268

>  <Name> (1,580)
WAY-239320

>  <Synonyms> (1,580)
N/A

>  <Target> (1,580)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (1,580)
free base

>  <CAS> (1,580)
378775-98-5

>  <URL> (1,580)
N/A

$$$$
WAY-248134
csChFnd80/07272117312D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,581)
1454

>  <Formula> (1,581)
C10H11N3OS

>  <MolWeight> (1,581)
221.27884

>  <Cat> (1,581)
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>  <Name> (1,581)
WAY-248134

>  <Synonyms> (1,581)
N/A

>  <Target> (1,581)
LIMK1£¬IKK¦Â

>  <Form> (1,581)
free base

>  <CAS> (1,581)
67795-42-0

>  <URL> (1,581)
N/A

$$$$
WAY-296817
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,582)
1455

>  <Formula> (1,582)
C17H16N2O3S

>  <MolWeight> (1,582)
328.38554

>  <Cat> (1,582)
P3296

>  <Name> (1,582)
WAY-296817

>  <Synonyms> (1,582)
N/A

>  <Target> (1,582)
casein kinase 1

>  <Form> (1,582)
free base

>  <CAS> (1,582)
349438-74-0

>  <URL> (1,582)
N/A

$$$$
WAY-296818
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,583)
1456

>  <Formula> (1,583)
C17H16N2O2S

>  <MolWeight> (1,583)
312.38614

>  <Cat> (1,583)
P3297

>  <Name> (1,583)
WAY-296818

>  <Synonyms> (1,583)
N/A

>  <Target> (1,583)
casein kinase 1

>  <Form> (1,583)
free base

>  <CAS> (1,583)
349438-77-3

>  <URL> (1,583)
N/A

$$$$
WAY-635764
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,584)
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>  <Formula> (1,584)
C23H31N3O5

>  <MolWeight> (1,584)
429.50934

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P3487

>  <Name> (1,584)
WAY-635764

>  <Synonyms> (1,584)
N/A

>  <Target> (1,584)
Aurora kinase A

>  <Form> (1,584)
free base

>  <CAS> (1,584)
790267-88-8

>  <URL> (1,584)
N/A

$$$$
WAY-271147
csChFnd80/07272117312D

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 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
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 16  6  2  0  0  0  0
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 23 15  1  0  0  0  0
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 22 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,585)
1458

>  <Formula> (1,585)
C17H12N2O4

>  <MolWeight> (1,585)
308.28818

>  <Cat> (1,585)
P3281

>  <Name> (1,585)
WAY-271147

>  <Synonyms> (1,585)
N/A

>  <Target> (1,585)
VEGFR

>  <Form> (1,585)
free base

>  <CAS> (1,585)
683235-34-9

>  <URL> (1,585)
N/A

$$$$
WAY-600632
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
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  5 11  1  0  0  0  0
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  9 15  2  0  0  0  0
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 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
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 18 19  2  0  0  0  0
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M  END
>  <Mol_ID> (1,586)
1459

>  <Formula> (1,586)
C14H9N3O2S2

>  <MolWeight> (1,586)
315.37016

>  <Cat> (1,586)
P3423

>  <Name> (1,586)
WAY-600632

>  <Synonyms> (1,586)
N/A

>  <Target> (1,586)
Casein kinase 1¦Ä

>  <Form> (1,586)
free base

>  <CAS> (1,586)
438018-70-3

>  <URL> (1,586)
N/A

$$$$
WAY-601258
csChFnd80/07272117312D

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 10  4  1  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,587)
1460

>  <Formula> (1,587)
C13H12N4OS2

>  <MolWeight> (1,587)
304.39058

>  <Cat> (1,587)
P3428

>  <Name> (1,587)
WAY-601258

>  <Synonyms> (1,587)
N/A

>  <Target> (1,587)
Anti-infection

>  <Form> (1,587)
free base

>  <CAS> (1,587)
496023-52-0

>  <URL> (1,587)
N/A

$$$$
WAY-601323
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,588)
1461

>  <Formula> (1,588)
C16H18N4O2

>  <MolWeight> (1,588)
298.33972

>  <Cat> (1,588)
P3429

>  <Name> (1,588)
WAY-601323

>  <Synonyms> (1,588)
N/A

>  <Target> (1,588)
CDK9 

>  <Form> (1,588)
free base

>  <CAS> (1,588)
324778-48-5

>  <URL> (1,588)
N/A

$$$$
WAY-600704-A
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -3.3515    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  2  0  0  0  0
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 12  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,589)
1462

>  <Formula> (1,589)
C17H22N2O

>  <MolWeight> (1,589)
270.36938

>  <Cat> (1,589)
P3424

>  <Name> (1,589)
WAY-600704

>  <Synonyms> (1,589)
N/A

>  <Target> (1,589)
ethanolamine kinase

>  <Form> (1,589)
free base

>  <CAS> (1,589)
301330-94-9

>  <URL> (1,589)
N/A

$$$$
WAY-600868
csChFnd80/07272117312D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,590)
1463

>  <Formula> (1,590)
C13H9FN2S

>  <MolWeight> (1,590)
244.2873632

>  <Cat> (1,590)
P3425

>  <Name> (1,590)
WAY-600868

>  <Synonyms> (1,590)
N/A

>  <Target> (1,590)
FGFR3

>  <Form> (1,590)
free base

>  <CAS> (1,590)
348-45-8

>  <URL> (1,590)
N/A

$$$$
CL-104773
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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 12 13  1  0  0  0  0
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 18 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,591)
1464

>  <Formula> (1,591)
C17H14N2O

>  <MolWeight> (1,591)
262.30586

>  <Cat> (1,591)
P3253

>  <Name> (1,591)
CL-104773

>  <Synonyms> (1,591)
N/A

>  <Target> (1,591)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,591)
free base

>  <CAS> (1,591)
802980-92-3

>  <URL> (1,591)
N/A

$$$$
WAY-269040
csChFnd80/07272117312D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.1958    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
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 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,592)
1465

>  <Formula> (1,592)
C20H23N3OS

>  <MolWeight> (1,592)
353.48112

>  <Cat> (1,592)
P3271

>  <Name> (1,592)
WAY-269040

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
Anti-infection

>  <Form> (1,592)
free base

>  <CAS> (1,592)
846065-09-6

>  <URL> (1,592)
N/A

$$$$
WAY-339696
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 18  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  2  0  0  0  0
  7  6  2  0  0  0  0
 22 21  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,593)
1466

>  <Formula> (1,593)
C16H11BrN2O3

>  <MolWeight> (1,593)
359.17414

>  <Cat> (1,593)
P3388

>  <Name> (1,593)
WAY-339696

>  <Synonyms> (1,593)
N/A

>  <Target> (1,593)
 EGFR-T790M/L858R

>  <Form> (1,593)
free base

>  <CAS> (1,593)
333419-97-9

>  <URL> (1,593)
N/A

$$$$
WAY-349290
csChFnd80/07272117312D

 17 19  0  0  0  0  0  0  0  0999 V2000
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   -2.4830   -2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5381   -1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 17  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,594)
1467

>  <Formula> (1,594)
C12H7ClN2OS

>  <MolWeight> (1,594)
262.71478

>  <Cat> (1,594)
P3396

>  <Name> (1,594)
WAY-349290

>  <Synonyms> (1,594)
N/A

>  <Target> (1,594)
Pim,MCH receptor

>  <Form> (1,594)
free base

>  <CAS> (1,594)
215928-66-8

>  <URL> (1,594)
N/A

$$$$
WAY-613473
csChFnd80/07272117312D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.4520    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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301357-74-4

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N/A

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WAY-613991
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Casein kinase 1d

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free base

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565167-37-5

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N/A

$$$$
WAY-630998
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WAY-630998

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N/A

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p38a

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free base

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251106-30-6

>  <URL> (1,597)
N/A

$$$$
WAY-631127
csChFnd80/07272117312D

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WAY-631127

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N/A

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free base

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756849-12-4

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N/A

$$$$
WAY-631545
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M  END
>  <Mol_ID> (1,599)
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>  <Formula> (1,599)
C12H6ClFN2S

>  <MolWeight> (1,599)
264.7058432

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P3473

>  <Name> (1,599)
WAY-631545

>  <Synonyms> (1,599)
N/A

>  <Target> (1,599)
others

>  <Form> (1,599)
free base

>  <CAS> (1,599)
681260-56-0

>  <URL> (1,599)
N/A

$$$$
WAY-632021
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,600)
1473

>  <Formula> (1,600)
C13H10ClN3S

>  <MolWeight> (1,600)
275.7566

>  <Cat> (1,600)
P3474

>  <Name> (1,600)
WAY-632021

>  <Synonyms> (1,600)
N/A

>  <Target> (1,600)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,600)
free base

>  <CAS> (1,600)
742094-64-0

>  <URL> (1,600)
N/A

$$$$
WAY-632323
csChFnd80/07272117312D

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  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,601)
1474

>  <Formula> (1,601)
C18H15N5S2

>  <MolWeight> (1,601)
365.4752

>  <Cat> (1,601)
P3475

>  <Name> (1,601)
WAY-632323

>  <Synonyms> (1,601)
N/A

>  <Target> (1,601)
Casein kinase 1¦Ä

>  <Form> (1,601)
free base

>  <CAS> (1,601)
782457-22-1

>  <URL> (1,601)
N/A

$$$$
WAY-650313
csChFnd80/07272117312D

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 10  6  1  0  0  0  0
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 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,602)
1475

>  <Formula> (1,602)
C23H18FN3O

>  <MolWeight> (1,602)
371.4069232

>  <Cat> (1,602)
P3511

>  <Name> (1,602)
WAY-650313

>  <Synonyms> (1,602)
N/A

>  <Target> (1,602)
Casein kinase 1¦Ä

>  <Form> (1,602)
free base

>  <CAS> (1,602)
847772-08-1

>  <URL> (1,602)
N/A

$$$$
WAY-650886
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,603)
1476

>  <Formula> (1,603)
C19H16N4O2

>  <MolWeight> (1,603)
332.35594

>  <Cat> (1,603)
P3512

>  <Name> (1,603)
WAY-650886

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
Casein kinase 1¦Ä

>  <Form> (1,603)
free base

>  <CAS> (1,603)
848066-61-5

>  <URL> (1,603)
N/A

$$$$
WAY-651445
csChFnd80/07272117312D

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>  <Synonyms> (1,604)
N/A

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LIMK1£¬IkB

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free base

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848289-47-4

>  <URL> (1,604)
N/A

$$$$
GI-555736
csChFnd80/07272117312D

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>  <Mol_ID> (1,605)
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>  <Synonyms> (1,605)
N/A

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PDGFR

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free base

>  <CAS> (1,605)
848342-16-5

>  <URL> (1,605)
N/A

$$$$
WAY-270318
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,606)
1479

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>  <Name> (1,606)
WAY-270318

>  <Synonyms> (1,606)
N/A

>  <Target> (1,606)
protein kinase

>  <Form> (1,606)
free base

>  <CAS> (1,606)
721964-48-3

>  <URL> (1,606)
N/A

$$$$
WAY-270329
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,607)
1480

>  <Formula> (1,607)
C21H18FN5O2S

>  <MolWeight> (1,607)
423.4633232

>  <Cat> (1,607)
P3273

>  <Name> (1,607)
WAY-270329

>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
protein kinase

>  <Form> (1,607)
free base

>  <CAS> (1,607)
721964-51-8

>  <URL> (1,607)
N/A

$$$$
WAY-270382
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,608)
1481

>  <Formula> (1,608)
C16H10N2O3S2

>  <MolWeight> (1,608)
342.3922

>  <Cat> (1,608)
P3274

>  <Name> (1,608)
WAY-270382

>  <Synonyms> (1,608)
N/A

>  <Target> (1,608)
Metallo-b-lactamase,ASK1

>  <Form> (1,608)
free base

>  <CAS> (1,608)
1427537-93-6

>  <URL> (1,608)
N/A

$$$$
WAY-270444
csChFnd80/07272117312D

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>  <Synonyms> (1,609)
N/A

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free base

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394237-61-7

>  <URL> (1,609)
N/A

$$$$
WAY-270599
csChFnd80/07272117312D

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>  <Formula> (1,610)
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374.79824

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>  <Name> (1,610)
WAY-270599

>  <Synonyms> (1,610)
N/A

>  <Target> (1,610)
FGFR1,TNFa

>  <Form> (1,610)
free base

>  <CAS> (1,610)
397281-20-8

>  <URL> (1,610)
N/A

$$$$
WAY-270947
csChFnd80/07272117312D

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>  <Formula> (1,611)
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>  <MolWeight> (1,611)
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>  <Cat> (1,611)
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>  <Name> (1,611)
WAY-270947

>  <Synonyms> (1,611)
N/A

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ALK5

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free base

>  <CAS> (1,611)
1198579-20-2

>  <URL> (1,611)
N/A

$$$$
WAY-270966
csChFnd80/07272117312D

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>  <Formula> (1,612)
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>  <MolWeight> (1,612)
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>  <Cat> (1,612)
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>  <Name> (1,612)
WAY-270966

>  <Synonyms> (1,612)
N/A

>  <Target> (1,612)
p38

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free base

>  <CAS> (1,612)
421578-44-1

>  <URL> (1,612)
N/A

$$$$
WAY-270968
csChFnd80/07272117312D

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1486

>  <Formula> (1,613)
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>  <MolWeight> (1,613)
332.4156232

>  <Cat> (1,613)
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>  <Name> (1,613)
WAY-270968

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
p38

>  <Form> (1,613)
free base

>  <CAS> (1,613)
421578-46-3

>  <URL> (1,613)
N/A

$$$$
WAY-320509
csChFnd80/07272117312D

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 23 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,614)
1487

>  <Formula> (1,614)
C18H17N3O2S

>  <MolWeight> (1,614)
339.41148

>  <Cat> (1,614)
P3327

>  <Name> (1,614)
WAY-320509

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
Anti-infection,CDK8

>  <Form> (1,614)
free base

>  <CAS> (1,614)
314035-54-6

>  <URL> (1,614)
N/A

$$$$
WAY-320049
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,615)
1488

>  <Formula> (1,615)
C13H17NO3S

>  <MolWeight> (1,615)
267.34398

>  <Cat> (1,615)
P3323

>  <Name> (1,615)
WAY-320049

>  <Synonyms> (1,615)
N/A

>  <Target> (1,615)
others

>  <Form> (1,615)
free base

>  <CAS> (1,615)
298193-11-0

>  <URL> (1,615)
N/A

$$$$
WAY-320080
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,616)
1489

>  <Formula> (1,616)
C14H13N3O2S

>  <MolWeight> (1,616)
287.33692

>  <Cat> (1,616)
P3324

>  <Name> (1,616)
WAY-320080

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
glucokinase,heat shock protein 90

>  <Form> (1,616)
free base

>  <CAS> (1,616)
349549-38-8

>  <URL> (1,616)
N/A

$$$$
WAY-320081
csChFnd80/07272117312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 14 18  1  0  0  0  0
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 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,617)
1490

>  <Formula> (1,617)
C14H13N3O2S

>  <MolWeight> (1,617)
287.33692

>  <Cat> (1,617)
P3325

>  <Name> (1,617)
WAY-320081

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
glucokinase,heat shock protein 90

>  <Form> (1,617)
free base

>  <CAS> (1,617)
66780-67-4

>  <URL> (1,617)
N/A

$$$$
WAY-602219
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
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  8  4  1  0  0  0  0
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 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,618)
1491

>  <Formula> (1,618)
C14H12N2O3S2

>  <MolWeight> (1,618)
320.38668

>  <Cat> (1,618)
P3430

>  <Name> (1,618)
WAY-602219

>  <Synonyms> (1,618)
N/A

>  <Target> (1,618)
Trypanosoma brucei hexokinase 

>  <Form> (1,618)
free base

>  <CAS> (1,618)
378197-09-2

>  <URL> (1,618)
N/A

$$$$
WAY-602746
csChFnd80/07272117312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
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 15 11  1  0  0  0  0
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 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
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  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,619)
1492

>  <Formula> (1,619)
C20H16N4O

>  <MolWeight> (1,619)
328.36724

>  <Cat> (1,619)
P3431

>  <Name> (1,619)
WAY-602746

>  <Synonyms> (1,619)
N/A

>  <Target> (1,619)
ROS 

>  <Form> (1,619)
free base

>  <CAS> (1,619)
370096-57-4

>  <URL> (1,619)
N/A

$$$$
WAY-603264
csChFnd80/07272117312D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,620)
1493

>  <Formula> (1,620)
C8H12N2OS

>  <MolWeight> (1,620)
184.25868

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P3432

>  <Name> (1,620)
WAY-603264

>  <Synonyms> (1,620)
N/A

>  <Target> (1,620)
adenosine kinase

>  <Form> (1,620)
free base

>  <CAS> (1,620)
58350-40-6

>  <URL> (1,620)
N/A

$$$$
WAY-603359
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,621)
1494

>  <Formula> (1,621)
C10H12ClN3O2

>  <MolWeight> (1,621)
241.67418

>  <Cat> (1,621)
P3433

>  <Name> (1,621)
WAY-603359

>  <Synonyms> (1,621)
N/A

>  <Target> (1,621)
p38

>  <Form> (1,621)
free base

>  <CAS> (1,621)
329268-90-8

>  <URL> (1,621)
N/A

$$$$
WAY-634931
csChFnd80/07272117312D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,622)
1495

>  <Formula> (1,622)
C10H14O2

>  <MolWeight> (1,622)
166.21696

>  <Cat> (1,622)
P3482

>  <Name> (1,622)
WAY-634931

>  <Synonyms> (1,622)
N/A

>  <Target> (1,622)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,622)
free base

>  <CAS> (1,622)
82683-51-0

>  <URL> (1,622)
N/A

$$$$
WAY-634964
csChFnd80/07272117312D

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 10  3  1  0  0  0  0
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 12 11  2  0  0  0  0
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M  END
>  <Mol_ID> (1,623)
1496

>  <Formula> (1,623)
C9H7N3O2

>  <MolWeight> (1,623)
189.17078

>  <Cat> (1,623)
P3483

>  <Name> (1,623)
WAY-634964

>  <Synonyms> (1,623)
N/A

>  <Target> (1,623)
tyrosine kinase

>  <Form> (1,623)
free base

>  <CAS> (1,623)
157842-34-7

>  <URL> (1,623)
N/A

$$$$
WAY-634704
csChFnd80/07272117312D

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 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
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 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
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 17  9  2  0  0  0  0
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 20  8  1  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,624)
1497

>  <Formula> (1,624)
C13H13ClN2O5S

>  <MolWeight> (1,624)
344.77072

>  <Cat> (1,624)
P3481

>  <Name> (1,624)
WAY-634704

>  <Synonyms> (1,624)
N/A

>  <Target> (1,624)
Aurora kinase A

>  <Form> (1,624)
free base

>  <CAS> (1,624)
781619-26-9

>  <URL> (1,624)
N/A

$$$$
WAY-635109
csChFnd80/07272117312D

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 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,625)
1498

>  <Formula> (1,625)
C13H9N3O2S

>  <MolWeight> (1,625)
271.29446

>  <Cat> (1,625)
P3484

>  <Name> (1,625)
WAY-635109

>  <Synonyms> (1,625)
N/A

>  <Target> (1,625)
B-Raf

>  <Form> (1,625)
free base

>  <CAS> (1,625)
781622-25-1

>  <URL> (1,625)
N/A

$$$$
WAY-635114
csChFnd80/07272117312D

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>  <Mol_ID> (1,626)
1499

>  <Formula> (1,626)
C13H11N3OS

>  <MolWeight> (1,626)
257.31094

>  <Cat> (1,626)
P3485

>  <Name> (1,626)
WAY-635114

>  <Synonyms> (1,626)
N/A

>  <Target> (1,626)
B-Raf

>  <Form> (1,626)
free base

>  <CAS> (1,626)
781622-52-4

>  <URL> (1,626)
N/A

$$$$
WAY-635319
csChFnd80/07272117312D

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N/A

$$$$
WAY-311677
csChFnd80/07272117312D

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>  <Synonyms> (1,628)
N/A

>  <Target> (1,628)
FAK

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free base

>  <CAS> (1,628)
19948-85-7

>  <URL> (1,628)
N/A

$$$$
CL-243214
csChFnd80/07272117312D

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>  <Formula> (1,629)
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>  <Name> (1,629)
CL-243214

>  <Synonyms> (1,629)
N/A

>  <Target> (1,629)
others

>  <Form> (1,629)
free base

>  <CAS> (1,629)
333785-55-0

>  <URL> (1,629)
N/A

$$$$
WAY-312187
csChFnd80/07272117312D

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>  <Formula> (1,630)
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>  <MolWeight> (1,630)
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>  <Cat> (1,630)
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>  <Name> (1,630)
WAY-312187

>  <Synonyms> (1,630)
N/A

>  <Target> (1,630)
Pim-1

>  <Form> (1,630)
free base

>  <CAS> (1,630)
1609385-99-0

>  <URL> (1,630)
N/A

$$$$
WAY-230563
csChFnd80/07272117312D

 22 25  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,631)
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>  <MolWeight> (1,631)
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>  <Cat> (1,631)
P3758

>  <Name> (1,631)
WAY-230563

>  <Synonyms> (1,631)
N/A

>  <Target> (1,631)
serine/threonine kinase

>  <Form> (1,631)
free base

>  <CAS> (1,631)
93326-70-6

>  <URL> (1,631)
N/A

$$$$
WAY-235142
csChFnd80/07272117312D

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MtSk

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free base

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380550-28-7

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N/A

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WAY-311747
csChFnd80/07272117312D

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N/A

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MtSk

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free base

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381671-40-5

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N/A

$$$$
WAY-312484
csChFnd80/07272117312D

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EGFR

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free base

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91769-08-3

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N/A

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WAY-311753-A
csChFnd80/07272117312D

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tyrosine kinase

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free base

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345615-74-9

>  <URL> (1,635)
N/A

$$$$
WAY-310586-A
csChFnd80/07272117312D

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N/A

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TAOK2

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free base

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315705-95-4

>  <URL> (1,636)
N/A

$$$$
WAY-115880
csChFnd80/07272117312D

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N/A

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free base

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142995-02-6

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N/A

$$$$
WAY-297848
csChFnd80/07272117312D

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>  <Formula> (1,638)
C13H13ClN2O2S

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296.77252

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>  <Name> (1,638)
WAY-297848

>  <Synonyms> (1,638)
N/A

>  <Target> (1,638)
glucokinase

>  <Form> (1,638)
free base

>  <CAS> (1,638)
404360-27-6

>  <URL> (1,638)
N/A

$$$$
GI-568769
csChFnd80/07272117312D

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>  <Mol_ID> (1,639)
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>  <Formula> (1,639)
C13H11ClN4

>  <MolWeight> (1,639)
258.70624

>  <Cat> (1,639)
P3689

>  <Name> (1,639)
GI-568769

>  <Synonyms> (1,639)
N/A

>  <Target> (1,639)
p90 Ribosomal S6 Protein Kinase 2

>  <Form> (1,639)
free base

>  <CAS> (1,639)
62001-32-5

>  <URL> (1,639)
N/A

$$$$
WAY-298129
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,640)
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>  <Formula> (1,640)
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>  <Cat> (1,640)
P3688

>  <Name> (1,640)
WAY-298129

>  <Synonyms> (1,640)
N/A

>  <Target> (1,640)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (1,640)
free base

>  <CAS> (1,640)
719277-26-6

>  <URL> (1,640)
N/A

$$$$
WAY-299338
csChFnd80/07272117312D

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1514

>  <Formula> (1,641)
C17H16N2O3S

>  <MolWeight> (1,641)
328.38554

>  <Cat> (1,641)
P3775

>  <Name> (1,641)
WAY-299338

>  <Synonyms> (1,641)
N/A

>  <Target> (1,641)
PDK1

>  <Form> (1,641)
free base

>  <CAS> (1,641)
1005044-23-4

>  <URL> (1,641)
N/A

$$$$
WAY-322454
csChFnd80/07272117312D

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>  <Mol_ID> (1,642)
1515

>  <Formula> (1,642)
C17H20N4O2

>  <MolWeight> (1,642)
312.3663

>  <Cat> (1,642)
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>  <Name> (1,642)
WAY-322454

>  <Synonyms> (1,642)
N/A

>  <Target> (1,642)
GRK6

>  <Form> (1,642)
free base

>  <CAS> (1,642)
1008244-02-7

>  <URL> (1,642)
N/A

$$$$
WAY-119064
csChFnd80/07272117312D

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>  <Mol_ID> (1,643)
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>  <Formula> (1,643)
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>  <MolWeight> (1,643)
282.35862

>  <Cat> (1,643)
P3728

>  <Name> (1,643)
WAY-119064

>  <Synonyms> (1,643)
N/A

>  <Target> (1,643)
INK4C

>  <Form> (1,643)
free base

>  <CAS> (1,643)
1198098-03-1

>  <URL> (1,643)
N/A

$$$$
WAY-215718
csChFnd80/07272117312D

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>  <Mol_ID> (1,644)
1517

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C14H19N3

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229.32076

>  <Cat> (1,644)
P3684

>  <Name> (1,644)
WAY-215718

>  <Synonyms> (1,644)
N/A

>  <Target> (1,644)
5-HT Receptor,pp6othersc-Src tyrosine kinase

>  <Form> (1,644)
free base

>  <CAS> (1,644)
128175-06-4

>  <URL> (1,644)
N/A

$$$$
WAY-300046
csChFnd80/07272117312D

 17 18  0  0  0  0  0  0  0  0999 V2000
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>  <Name> (1,645)
WAY-300046

>  <Synonyms> (1,645)
N/A

>  <Target> (1,645)
LtaS,herpes simplex viruses thymidine kinase

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free base

>  <CAS> (1,645)
41648-10-6

>  <URL> (1,645)
N/A

$$$$
WAY-300063
csChFnd80/07272117312D

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1519

>  <Formula> (1,646)
C16H13N3O3

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>  <Cat> (1,646)
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>  <Name> (1,646)
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>  <Synonyms> (1,646)
N/A

>  <Target> (1,646)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (1,646)
free base

>  <CAS> (1,646)
296888-45-4

>  <URL> (1,646)
N/A

$$$$
WAY-299819
csChFnd80/07272117312D

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>  <Mol_ID> (1,647)
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>  <Name> (1,647)
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>  <Synonyms> (1,647)
N/A

>  <Target> (1,647)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (1,647)
free base

>  <CAS> (1,647)
346663-56-7

>  <URL> (1,647)
N/A

$$$$
WAY-300700
csChFnd80/07272117312D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,648)
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>  <MolWeight> (1,648)
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>  <Cat> (1,648)
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>  <Name> (1,648)
WAY-300700

>  <Synonyms> (1,648)
N/A

>  <Target> (1,648)
HIV-1

>  <Form> (1,648)
free base

>  <CAS> (1,648)
428853-17-2

>  <URL> (1,648)
N/A

$$$$
WAY-300744
csChFnd80/07272117312D

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>  <Formula> (1,649)
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>  <Name> (1,649)
WAY-300744

>  <Synonyms> (1,649)
N/A

>  <Target> (1,649)
kinase

>  <Form> (1,649)
free base

>  <CAS> (1,649)
314284-06-5

>  <URL> (1,649)
N/A

$$$$
WAY-301205
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,650)
1523

>  <Formula> (1,650)
C16H20N2O2S2

>  <MolWeight> (1,650)
336.4722

>  <Cat> (1,650)
P3772

>  <Name> (1,650)
WAY-301205

>  <Synonyms> (1,650)
N/A

>  <Target> (1,650)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,650)
free base

>  <CAS> (1,650)
330181-93-6

>  <URL> (1,650)
N/A

$$$$
WAY-301300
csChFnd80/07272117312D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,651)
1524

>  <Formula> (1,651)
C16H17NO4

>  <MolWeight> (1,651)
287.31048

>  <Cat> (1,651)
P3726

>  <Name> (1,651)
WAY-301300

>  <Synonyms> (1,651)
N/A

>  <Target> (1,651)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (1,651)
free base

>  <CAS> (1,651)
935279-95-1

>  <URL> (1,651)
N/A

$$$$
WAY-301398
csChFnd80/07272117312D

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M  END
>  <Mol_ID> (1,652)
1525

>  <Formula> (1,652)
C16H13FO4

>  <MolWeight> (1,652)
288.2704232

>  <Cat> (1,652)
P3750

>  <Name> (1,652)
WAY-301398

>  <Synonyms> (1,652)
N/A

>  <Target> (1,652)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (1,652)
free base

>  <CAS> (1,652)
312607-68-4

>  <URL> (1,652)
N/A

$$$$
WAY-301503
csChFnd80/07272117312D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,653)
1526

>  <Formula> (1,653)
C14H9N3O4S

>  <MolWeight> (1,653)
315.30396

>  <Cat> (1,653)
P3748

>  <Name> (1,653)
WAY-301503

>  <Synonyms> (1,653)
N/A

>  <Target> (1,653)
CDK2

>  <Form> (1,653)
free base

>  <CAS> (1,653)
313530-30-2

>  <URL> (1,653)
N/A

$$$$
WAY-118985
csChFnd80/07272117312D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,654)
1527

>  <Formula> (1,654)
C13H12N4S2

>  <MolWeight> (1,654)
288.39118

>  <Cat> (1,654)
P3723

>  <Name> (1,654)
WAY-118985

>  <Synonyms> (1,654)
N/A

>  <Target> (1,654)
TAOK2

>  <Form> (1,654)
free base

>  <CAS> (1,654)
315704-83-7

>  <URL> (1,654)
N/A

$$$$
WAY-302159
csChFnd80/07272117312D

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WAY-383487
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free base

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748146-89-6

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N/A

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WAY-232261
csChFnd80/07272117312D

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 PI3K

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332023-13-9

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N/A

$$$$
WAY-340245
csChFnd80/07272117312D

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ERK

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free base

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350509-85-2

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N/A

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WAY-340935
csChFnd80/07272117312D

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737818-56-3

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N/A

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WAY-341085
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  4  5  2  0  0  0  0
 16 18  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,666)
1539

>  <Formula> (1,666)
C19H16N2O3S

>  <MolWeight> (1,666)
352.40694

>  <Cat> (1,666)
P3769

>  <Name> (1,666)
WAY-341085

>  <Synonyms> (1,666)
N/A

>  <Target> (1,666)
Kinase

>  <Form> (1,666)
free base

>  <CAS> (1,666)
383380-01-6

>  <URL> (1,666)
N/A

$$$$
