untitled.cdx
csChFnd80/08142011082D

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1

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C21H18FN5O

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S1003

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Linifanib (ABT-869)

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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
csChFnd80/08142011082D

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>  <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
csChFnd80/08142011082D

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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
csChFnd80/08142011082D

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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
csChFnd80/08142011082D

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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
csChFnd80/08142011082D

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  6  1  1  0  0  0  0
  5  7  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
csChFnd80/08142011082D

 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
csChFnd80/08142011082D

 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
csChFnd80/08142011082D

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9

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>  <Name> (9)
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

$$$$

csChFnd80/08142011082D

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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
csChFnd80/08142011082D

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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
csChFnd80/08142011082D

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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
csChFnd80/08142011082D

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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

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C22H29N5O9P2

>  <MolWeight> (15)
569.441282

>  <Cat> (15)
S1032

>  <Name> (15)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (15)
AMG-706

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

>  <Form> (15)
Diphosphate

>  <CAS> (15)
857876-30-3

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

$$$$
untitled.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C28H22F3N7O

>  <MolWeight> (16)
529.5157896

>  <Cat> (16)
S1033

>  <Name> (16)
Nilotinib (AMN-107)

>  <Synonyms> (16)
Tasigna 

>  <Target> (16)
Bcr-Abl

>  <Form> (16)
Free Base

>  <CAS> (16)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C21H24ClN7O2S

>  <MolWeight> (17)
473.97896

>  <Cat> (17)
S1035

>  <Name> (17)
Pazopanib HCl

>  <Synonyms> (17)
GW786034

>  <Target> (17)
VEGFR, PDGFR, c-Kit

>  <Form> (17)
Hydrochloride

>  <CAS> (17)
635702-64-6

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

$$$$
untitled.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (18)
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C16H14F3IN2O4

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>  <Synonyms> (18)
N/A

>  <Target> (18)
MEK 

>  <Form> (18)
Free Base

>  <CAS> (18)
391210-10-9

>  <URL> (18)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
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>  <Mol_ID> (19)
19

>  <Formula> (19)
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>  <MolWeight> (19)
348.35534

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PI-103

>  <Synonyms> (19)
N/A

>  <Target> (19)
DNA-PK, PI3K, mTOR

>  <Form> (19)
Free Base

>  <CAS> (19)
371935-74-9

>  <URL> (19)
http://www.selleckchem.com/products/PI-103.html

$$$$
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csChFnd80/08142011082D

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>  <Mol_ID> (20)
20

>  <Formula> (20)
C51H79NO13

>  <MolWeight> (20)
914.17186

>  <Cat> (20)
S1039

>  <Name> (20)
Rapamycin (Sirolimus)

>  <Synonyms> (20)
N/A 

>  <Target> (20)
mTOR 

>  <Form> (20)
Free Base

>  <CAS> (20)
53123-88-9

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

$$$$

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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C28H24ClF3N4O6S

>  <MolWeight> (21)
637.0265696

>  <Cat> (21)
S1040

>  <Name> (21)
Sorafenib Tosylate

>  <Synonyms> (21)
Bay 43-9006 

>  <Target> (21)
VEGFR, PDGFR, Raf

>  <Form> (21)
Tosylate

>  <CAS> (21)
475207-59-1

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

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C26H33FN4O7

>  <MolWeight> (22)
532.5612232

>  <Cat> (22)
S1042

>  <Name> (22)
Sunitinib Malate

>  <Synonyms> (22)
N/A

>  <Target> (22)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (22)
Malate

>  <CAS> (22)
341031-54-7

>  <URL> (22)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C23H28N8OS

>  <MolWeight> (23)
464.58642

>  <Cat> (23)
S1048

>  <Name> (23)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (23)
N/A 

>  <Target> (23)
Aurora Kinase

>  <Form> (23)
Free Base

>  <CAS> (23)
639089-54-6

>  <URL> (23)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C14H23Cl2N3O

>  <MolWeight> (24)
320.25792

>  <Cat> (24)
S1049

>  <Name> (24)
Y-27632 2HCl

>  <Synonyms> (24)
N/A

>  <Target> (24)
ROCK

>  <Form> (24)
Dihydrochloride

>  <CAS> (24)
129830-38-2

>  <URL> (24)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/08142011082D

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C32H29N5O2

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Enzastaurin (LY317615)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
PKC 

>  <Form> (25)
Free Base

>  <CAS> (25)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/08142011082D

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26

>  <Formula> (26)
C28H30N6OS

>  <MolWeight> (26)
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>  <Cat> (26)
S1064

>  <Name> (26)
Masitinib (AB1010)

>  <Synonyms> (26)
N/A 

>  <Target> (26)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (26)
Free Base

>  <CAS> (26)
790299-79-5

>  <URL> (26)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (27)
27

>  <Formula> (27)
C23H27N7O3S2

>  <MolWeight> (27)
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>  <Cat> (27)
S1065

>  <Name> (27)
Pictilisib (GDC-0941)

>  <Synonyms> (27)
RG7321

>  <Target> (27)
PI3K 

>  <Form> (27)
Free Base

>  <CAS> (27)
957054-30-7

>  <URL> (27)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
untitled.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (28)
28

>  <Formula> (28)
C22H16N4O3

>  <MolWeight> (28)
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>  <Cat> (28)
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>  <Name> (28)
SB 431542

>  <Synonyms> (28)
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>  <Target> (28)
TGF-beta/Smad

>  <Form> (28)
Free Base

>  <CAS> (28)
301836-41-9

>  <URL> (28)
http://www.selleckchem.com/products/SB-431542.html

$$$$
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280744-09-4

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152121-47-6

>  <URL> (31)
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p38 MAPK 

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152121-30-7

>  <URL> (32)
http://www.selleckchem.com/products/SB-202190.html

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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C25H23Cl2N5O

>  <MolWeight> (33)
480.38902

>  <Cat> (33)
S1078

>  <Name> (33)
MK-2206 dihydrochloride

>  <Synonyms> (33)
N/A

>  <Target> (33)
Akt

>  <Form> (33)
Dihydrochloride

>  <CAS> (33)
1032350-13-2

>  <URL> (33)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C28H30ClN5O4S

>  <MolWeight> (34)
568.0869

>  <Cat> (34)
S1080

>  <Name> (34)
SU11274

>  <Synonyms> (34)
PKI-SU11274

>  <Target> (34)
c-Met 

>  <Form> (34)
Free Base

>  <CAS> (34)
658084-23-2

>  <URL> (34)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C19H19FN4O3

>  <MolWeight> (35)
370.3775632

>  <Cat> (35)
S1084

>  <Name> (35)
Brivanib (BMS-540215)

>  <Synonyms> (35)
N/A 

>  <Target> (35)
VEGFR, FGFR

>  <Form> (35)
Free Base

>  <CAS> (35)
649735-46-6

>  <URL> (35)
http://www.selleckchem.com/products/Brivanib.html

$$$$
NVP-ADW742.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C28H31N5O

>  <MolWeight> (36)
453.57864

>  <Cat> (36)
S1088

>  <Name> (36)
NVP-ADW742

>  <Synonyms> (36)
ADW742

>  <Target> (36)
IGF-1R

>  <Form> (36)
Free Base

>  <CAS> (36)
475488-23-4

>  <URL> (36)
http://www.selleckchem.com/products/NVP-ADW742.html

$$$$
untitled.cdx
csChFnd80/08142011082D

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>  <Target> (37)
ATM 

>  <Form> (37)
Free Base

>  <CAS> (37)
587871-26-9

>  <URL> (37)
http://www.selleckchem.com/products/KU-55933.html

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>  <Mol_ID> (38)
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>  <Formula> (38)
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>  <Synonyms> (38)
N/A

>  <Target> (38)
IGF-1R

>  <Form> (38)
Free Base

>  <CAS> (38)
1089283-49-7

>  <URL> (38)
http://www.selleckchem.com/products/GSK1904529A.html

$$$$
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>  <Mol_ID> (39)
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>  <Formula> (39)
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>  <MolWeight> (39)
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>  <Synonyms> (39)
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>  <Target> (39)
c-Met 

>  <Form> (39)
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>  <CAS> (39)
956905-27-4

>  <URL> (39)
http://www.selleckchem.com/products/PF-04217903.html

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C25H15ClF2N4O2

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MLN8054

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N/A

>  <Target> (40)
Aurora Kinase

>  <Form> (40)
Free Base

>  <CAS> (40)
869363-13-3

>  <URL> (40)
http://www.selleckchem.com/products/MLN8054.html

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>  <Mol_ID> (41)
41

>  <Formula> (41)
C20H17Cl3N4

>  <MolWeight> (41)
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S1101

>  <Name> (41)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (41)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (41)
VEGFR, c-Kit, Flt

>  <Form> (41)
Dihydrochloride

>  <CAS> (41)
212141-51-0

>  <URL> (41)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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>  <Mol_ID> (42)
42

>  <Formula> (42)
C29H31N5O4

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ZM-447439

>  <Synonyms> (42)
N/A

>  <Target> (42)
Aurora Kinase

>  <Form> (42)
Free Base

>  <CAS> (42)
331771-20-1

>  <URL> (42)
http://www.selleckchem.com/products/ZM-447439.html

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

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C19H18N4O2

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GDC-0879

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N/A

>  <Target> (43)
Raf

>  <Form> (43)
Free Base

>  <CAS> (43)
905281-76-7

>  <URL> (43)
http://www.selleckchem.com/products/GDC-0879.html

$$$$
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>  <Mol_ID> (44)
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>  <Synonyms> (44)
N/A

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PI3K 

>  <Form> (44)
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>  <CAS> (44)
154447-36-6

>  <URL> (44)
http://www.selleckchem.com/products/LY294002.html

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OSU-03012 (AR-12)

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AR-12 

>  <Target> (45)
PDK-1

>  <Form> (45)
Free Base

>  <CAS> (45)
742112-33-0

>  <URL> (45)
http://www.selleckchem.com/products/OSU-03012.html

$$$$
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>  <Mol_ID> (46)
46

>  <Formula> (46)
C26H30N6O3

>  <MolWeight> (46)
474.5548

>  <Cat> (46)
S1107

>  <Name> (46)
Danusertib (PHA-739358)

>  <Synonyms> (46)
N/A 

>  <Target> (46)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (46)
Free Base

>  <CAS> (46)
827318-97-8

>  <URL> (46)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
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>  <Mol_ID> (47)
47

>  <Formula> (47)
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>  <MolWeight> (47)
521.65436

>  <Cat> (47)
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>  <Name> (47)
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>  <Synonyms> (47)
N/A

>  <Target> (47)
PLK

>  <Form> (47)
Free Base

>  <CAS> (47)
755038-02-9

>  <URL> (47)
http://www.selleckchem.com/products/BI-2536.html

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c-Met, VEGFR

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849217-64-7

>  <URL> (48)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

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>  <Formula> (49)
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>  <Cat> (49)
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>  <Name> (49)
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>  <Synonyms> (49)
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>  <Target> (49)
c-Met 

>  <Form> (49)
Free Base

>  <CAS> (49)
943540-75-8

>  <URL> (49)
http://www.selleckchem.com/products/JNJ-38877605.html

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>  <Synonyms> (50)
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>  <Target> (50)
mTOR

>  <Form> (50)
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>  <CAS> (50)
159351-69-6

>  <URL> (50)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
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>  <Mol_ID> (51)
51

>  <Formula> (51)
C27H20ClFN4O4

>  <MolWeight> (51)
518.9235032

>  <Cat> (51)
S1133

>  <Name> (51)
MLN8237 (Alisertib)

>  <Synonyms> (51)
Alisertib

>  <Target> (51)
Aurora Kinase

>  <Form> (51)
Free Base

>  <CAS> (51)
1028486-01-2

>  <URL> (51)
http://www.selleckchem.com/products/MLN8237.html

$$$$
XL-184 free base.cdx
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>  <Mol_ID> (52)
52

>  <Formula> (52)
C28H24FN3O5

>  <MolWeight> (52)
501.5056632

>  <Cat> (52)
S1119

>  <Name> (52)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (52)
N/A

>  <Target> (52)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (52)
Free Base

>  <CAS> (52)
849217-68-1

>  <URL> (52)
http://www.selleckchem.com/products/XL184.html

$$$$
AT9283.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (53)
53

>  <Formula> (53)
C19H23N7O2

>  <MolWeight> (53)
381.43162

>  <Cat> (53)
S1134

>  <Name> (53)
AT9283

>  <Synonyms> (53)
N/A

>  <Target> (53)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (53)
Free Base

>  <CAS> (53)
896466-04-9

>  <URL> (53)
http://www.selleckchem.com/products/AT9283.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C22H24FN5O4

>  <MolWeight> (54)
441.4554632

>  <Cat> (54)
S1138

>  <Name> (54)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (54)
N/A 

>  <Target> (54)
VEGFR, FGFR

>  <Form> (54)
Alaninate

>  <CAS> (54)
649735-63-7

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

$$$$
untitled.cdx
csChFnd80/08142011082D

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345627-80-7

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http://www.selleckchem.com/products/SNS-032.html

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AZD1152 

>  <Target> (56)
Aurora Kinase

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Free Base

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722544-51-6

>  <URL> (56)
http://www.selleckchem.com/products/AZD1152-HQPA.html

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PLX-4720

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N/A

>  <Target> (57)
Raf 

>  <Form> (57)
Free Base

>  <CAS> (57)
918505-84-7

>  <URL> (57)
http://www.selleckchem.com/products/PLX-4720.html

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>  <Synonyms> (58)
N/A 

>  <Target> (58)
CDK 

>  <Form> (58)
Free Base

>  <CAS> (58)
186692-46-6 

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

$$$$
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537705-08-1

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PI3K

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663619-89-4

>  <URL> (60)
http://www.selleckchem.com/products/TGX-221.html

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EGFR

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Free Base

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1214265-56-1

>  <URL> (61)
http://www.selleckchem.com/products/WZ3146.html

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693228-63-6

>  <URL> (62)
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167869-21-8

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755037-03-7

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M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C21H25N7

>  <MolWeight> (67)
375.4701

>  <Cat> (67)
S1181

>  <Name> (67)
ENMD-2076

>  <Synonyms> (67)
N/A 

>  <Target> (67)
Flt, Aurora Kinase, VEGFR

>  <Form> (67)
Tartaric Acid 

>  <CAS> (67)
934353-76-1

>  <URL> (67)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/08142011082D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C24H26N4O4

>  <MolWeight> (68)
434.48764

>  <Cat> (68)
S1194

>  <Name> (68)
CUDC-101

>  <Synonyms> (68)
N/A

>  <Target> (68)
HDAC, EGFR, HER2

>  <Form> (68)
Free Base

>  <CAS> (68)
1012054-59-9

>  <URL> (68)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/08142011082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C22H19ClN4O5

>  <MolWeight> (69)
454.86306

>  <Cat> (69)
S1207

>  <Name> (69)
Tivozanib (AV-951)

>  <Synonyms> (69)
N/A 

>  <Target> (69)
VEGFR, c-Kit, PDGFR

>  <Form> (69)
Free Base

>  <CAS> (69)
475108-18-0

>  <URL> (69)
http://www.selleckchem.com/products/AV-951.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/08142011082D

 41 44  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (70)
70

>  <Formula> (70)
C27H30ClNO11

>  <MolWeight> (70)
579.9802

>  <Cat> (70)
S1208

>  <Name> (70)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (70)
N/A 

>  <Target> (70)
Topoisomerase

>  <Form> (70)
Hydrochloride

>  <CAS> (70)
25316-40-9

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

$$$$
OSI-930.cdx
csChFnd80/08142011082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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938440-64-3

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850879-09-3

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FGFR, VEGFR

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Free Base

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mTOR 

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1062169-56-5

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http://www.selleckchem.com/products/WYE-354.html

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EGFR

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446-72-0

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PI3K

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>  <URL> (82)
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>  <Synonyms> (83)
N/A

>  <Target> (83)
VEGFR, c-Kit, PDGFR

>  <Form> (83)
Free Base

>  <CAS> (83)
228559-41-9

>  <URL> (83)
http://www.selleckchem.com/products/Ki8751.html

$$$$
resveratrol.cdx
csChFnd80/08142011082D

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C14H12O3

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Resveratrol

>  <Synonyms> (84)
N/A

>  <Target> (84)
Sirtuin

>  <Form> (84)
Free Base

>  <CAS> (84)
501-36-0

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (85)
85

>  <Formula> (85)
C31H31ClFN7O2

>  <MolWeight> (85)
588.0749432

>  <Cat> (85)
S1451

>  <Name> (85)
Aurora A Inhibitor I

>  <Synonyms> (85)
N/A

>  <Target> (85)
Aurora Kinase

>  <Form> (85)
Free Base

>  <CAS> (85)
1158838-45-9

>  <URL> (85)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (86)
86

>  <Formula> (86)
C28H35N7O2

>  <MolWeight> (86)
501.6232

>  <Cat> (86)
S1454

>  <Name> (86)
PHA-680632

>  <Synonyms> (86)
N/A

>  <Target> (86)
Aurora Kinase

>  <Form> (86)
Free Base

>  <CAS> (86)
398493-79-3

>  <URL> (86)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (87)
87

>  <Formula> (87)
C15H13N5OS

>  <MolWeight> (87)
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>  <Cat> (87)
S1459

>  <Name> (87)
Thiazovivin

>  <Synonyms> (87)
N/A

>  <Target> (87)
ROCK

>  <Form> (87)
Free Base

>  <CAS> (87)
1226056-71-8

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

$$$$
sp600125.cdx
csChFnd80/08142011082D

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252916-29-3

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ROCK 

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864082-47-3

>  <URL> (90)
http://www.selleckchem.com/products/GSK429286A.html

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1236699-92-5

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N/A

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TGF-beta/Smad

>  <Form> (92)
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>  <CAS> (92)
356559-20-1

>  <URL> (92)
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CDK

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718630-59-2

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943319-70-8

>  <URL> (97)
http://www.selleckchem.com/products/AP24534.html

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>  <Formula> (98)
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>  <MolWeight> (98)
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>  <Name> (98)
Palomid 529

>  <Synonyms> (98)
P529

>  <Target> (98)
mTOR

>  <Form> (98)
Free Base

>  <CAS> (98)
914913-88-5

>  <URL> (98)
http://www.selleckchem.com/products/Palomid-529-P529.html

$$$$
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>  <Target> (99)
PI3K, mTOR

>  <Form> (99)
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1349796-36-6

>  <URL> (99)
http://www.selleckchem.com/products/XL765(SAR245409).html#

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CDK 

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>  <CAS> (100)
844442-38-2

>  <URL> (100)
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> (101)
http://www.selleckchem.com/products/MK-1775.html

$$$$
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>  <Target> (102)
Flt

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950769-58-1

>  <URL> (102)
http://www.selleckchem.com/products/AC-220.html

$$$$
Hesperadin .cdx
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>  <Mol_ID> (103)
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>  <Formula> (103)
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>  <MolWeight> (103)
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>  <Cat> (103)
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>  <Name> (103)
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>  <Synonyms> (103)
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>  <Target> (103)
Aurora Kinase

>  <Form> (103)
Free Base

>  <CAS> (103)
422513-13-1

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

$$$$
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AZD8055

>  <Synonyms> (108)
N/A 

>  <Target> (108)
mTOR

>  <Form> (108)
Free Base

>  <CAS> (108)
1009298-09-2

>  <URL> (108)
http://www.selleckchem.com/products/AZD8055.html

$$$$
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C20H31N3O2S2

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PHT-427

>  <Synonyms> (109)
N/A 

>  <Target> (109)
Akt, PDK-1

>  <Form> (109)
Free Base

>  <CAS> (109)
1191951-57-1

>  <URL> (109)
http://www.selleckchem.com/products/PHT-427.html

$$$$
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>  <Mol_ID> (110)
110

>  <Formula> (110)
C20H21ClN4O4

>  <MolWeight> (110)
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KRN 633

>  <Synonyms> (110)
N/A 

>  <Target> (110)
VEGFR, PDGFR

>  <Form> (110)
Free Base

>  <CAS> (110)
286370-15-8

>  <URL> (110)
http://www.selleckchem.com/products/KRN-633.html

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>  <Mol_ID> (111)
111

>  <Formula> (111)
C20H20ClN3

>  <MolWeight> (111)
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>  <Cat> (111)
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AT7867

>  <Synonyms> (111)
N/A

>  <Target> (111)
Akt, S6 kinase

>  <Form> (111)
Free Base

>  <CAS> (111)
857531-00-1

>  <URL> (111)
http://www.selleckchem.com/products/AT7867.html

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1025720-94-8

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http://www.selleckchem.com/products/BMS-777607.html

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MEK 

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391210-00-7 

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http://www.selleckchem.com/products/PD318088.html

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ATM 

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Free Base

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925701-49-1

>  <URL> (114)
http://www.selleckchem.com/products/KU-60019.html

$$$$
BS-181.cdx
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>  <Mol_ID> (115)
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BS-181 HCl

>  <Synonyms> (115)
N/A

>  <Target> (115)
CDK 

>  <Form> (115)
Hydrochloride

>  <CAS> (115)
1397219-81-6

>  <URL> (115)
http://www.selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (116)
116

>  <Formula> (116)
C14H18ClN3O2S

>  <MolWeight> (116)
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>  <Cat> (116)
S1573

>  <Name> (116)
Fasudil HCl (HA-1077)

>  <Synonyms> (116)
AT-877 

>  <Target> (116)
ROCK

>  <Form> (116)
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>  <CAS> (116)
105628-07-7

>  <URL> (116)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/08142011082D

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 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C31H37N5O3

>  <MolWeight> (117)
527.65718

>  <Cat> (117)
S1574

>  <Name> (117)
BIRB 796 (Doramapimod)

>  <Synonyms> (117)
N/A

>  <Target> (117)
p38 MAPK

>  <Form> (117)
Free Base

>  <CAS> (117)
285983-48-4

>  <URL> (117)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/08142011082D

 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
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    6.0580    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> (118)
118

>  <Formula> (118)
C26H21N3O2S

>  <MolWeight> (118)
439.52884

>  <Cat> (118)
S1577

>  <Name> (118)
Tie2 kinase inhibitor

>  <Synonyms> (118)
N/A

>  <Target> (118)
Tie-2

>  <Form> (118)
Free Base

>  <CAS> (118)
948557-43-5

>  <URL> (118)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/08142011082D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C27H30Cl2F2N6O

>  <MolWeight> (119)
563.4695064

>  <Cat> (119)
S2686

>  <Name> (119)
NVP-BSK805 2HCl

>  <Synonyms> (119)
N/A

>  <Target> (119)
JAK

>  <Form> (119)
HCl

>  <CAS> (119)
1092499-93-8 (free base)

>  <URL> (119)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/08142011082D

 11 10  0  0  0  0  0  0  0  0999 V2000
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    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
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  1  2  1  0  0  0  0
  1  3  1  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> (120)
120

>  <Formula> (120)
C5H9NO3S

>  <MolWeight> (120)
163.19486

>  <Cat> (120)
S1623

>  <Name> (120)
Acetylcysteine

>  <Synonyms> (120)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (120)
AChR

>  <Form> (120)
Free Base

>  <CAS> (120)
616-91-1

>  <URL> (120)
http://www.selleckchem.com/products/Acetylcysteine.html

$$$$
Artemisinin.cdx
csChFnd80/08142011082D

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    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
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    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> (121)
121

>  <Formula> (121)
C15H22O5

>  <MolWeight> (121)
282.33218

>  <Cat> (121)
S1282

>  <Name> (121)
Artemisinin

>  <Synonyms> (121)
Qinghaosu

>  <Target> (121)
Antifection

>  <Form> (121)
Free Base

>  <CAS> (121)
63968-64-9

>  <URL> (121)
http://www.selleckchem.com/products/Artemisinin.html

$$$$
APRISO (mesalamine).cdx
csChFnd80/08142011082D

 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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C7H7NO3

>  <MolWeight> (122)
153.13538

>  <Cat> (122)
S1681

>  <Name> (122)
Mesalamine (Lialda)

>  <Synonyms> (122)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (122)
I¦ÊB/IKK

>  <Form> (122)
Free Base

>  <CAS> (122)
89-57-6

>  <URL> (122)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
DCC-2036.cdx
csChFnd80/08142011082D

 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
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    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
  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 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
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C30H28FN7O3

>  <MolWeight> (123)
553.5868232

>  <Cat> (123)
S2634

>  <Name> (123)
DCC-2036 (Rebastinib)

>  <Synonyms> (123)
N/A 

>  <Target> (123)
Bcr-Abl

>  <Form> (123)
Free Base

>  <CAS> (123)
1020172-07-9

>  <URL> (123)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/08142011082D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6173   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   10.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0935   13.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   14.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1925   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4049    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0421   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9151   -3.8573    0.0000 C   0  0  0  0  0  0  0  0  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> (124)
124

>  <Formula> (124)
C50H46CaF2N2O8

>  <MolWeight> (124)
880.9836464

>  <Cat> (124)
S1759

>  <Name> (124)
Pitavastatin calcium (Livalo)

>  <Synonyms> (124)
Livalo

>  <Target> (124)
HMG-CoA Reductase

>  <Form> (124)
Calcium salt

>  <CAS> (124)
147526-32-7

>  <URL> (124)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/08142011082D

 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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  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> (125)
125

>  <Formula> (125)
C10H13N5O4

>  <MolWeight> (125)
267.24132

>  <Cat> (125)
S1784

>  <Name> (125)
Vidarabine (Vira-A)

>  <Synonyms> (125)
Vira-A

>  <Target> (125)
5-alpha Reductase 

>  <Form> (125)
Free Base

>  <CAS> (125)
5536-17-4

>  <URL> (125)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
ADALAT (nifedipine).cdx
csChFnd80/08142011082D

 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
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    5.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    7.7629    6.6051    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
  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
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 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> (126)
126

>  <Formula> (126)
C17H18N2O6

>  <MolWeight> (126)
346.33462

>  <Cat> (126)
S1808

>  <Name> (126)
Nifedipine (Adalat)

>  <Synonyms> (126)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (126)
Calcium Channel

>  <Form> (126)
Free Base

>  <CAS> (126)
21829-25-4

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

$$$$
Methylthiouracil.cdx
csChFnd80/08142011082D

  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> (127)
127

>  <Formula> (127)
C5H6N2OS

>  <MolWeight> (127)
142.17894

>  <Cat> (127)
S3138

>  <Name> (127)
Methylthiouracil

>  <Synonyms> (127)
N/A

>  <Target> (127)
Others

>  <Form> (127)
Free Base

>  <CAS> (127)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/08142011082D

 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> (128)
128

>  <Formula> (128)
C4H12ClN5

>  <MolWeight> (128)
165.62458

>  <Cat> (128)
S1950

>  <Name> (128)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (128)
Glucophage, Riomet, Diabex

>  <Target> (128)
Others

>  <Form> (128)
Hydrochloride

>  <CAS> (128)
1115-70-4

>  <URL> (128)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Biochanin A.cdx
csChFnd80/08142011082D

 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> (129)
129

>  <Formula> (129)
C16H12O5

>  <MolWeight> (129)
284.26348

>  <Cat> (129)
S2377

>  <Name> (129)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (129)
4-Methylgenistein

>  <Target> (129)
FAAH

>  <Form> (129)
Free Base

>  <CAS> (129)
491-80-5

>  <URL> (129)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Diosmetin.cdx
csChFnd80/08142011082D

 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> (130)
130

>  <Formula> (130)
C16H12O6

>  <MolWeight> (130)
300.26288

>  <Cat> (130)
S2380

>  <Name> (130)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (130)
Luteolin 4-methyl ether

>  <Target> (130)
P450 (e.g. CYP17)

>  <Form> (130)
Free Base

>  <CAS> (130)
520-34-3

>  <URL> (130)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Indirubin.cdx
csChFnd80/08142011082D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (131)
131

>  <Formula> (131)
C16H10N2O2

>  <MolWeight> (131)
262.2628

>  <Cat> (131)
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>  <Name> (131)
Indirubin

>  <Synonyms> (131)
N/A

>  <Target> (131)
GSK-3

>  <Form> (131)
Free Base

>  <CAS> (131)
479-41-4 

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

$$$$
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>  <Mol_ID> (132)
132

>  <Formula> (132)
C30H29N5O5

>  <MolWeight> (132)
539.58176

>  <Cat> (132)
S2747

>  <Name> (132)
AMG458

>  <Synonyms> (132)
N/A

>  <Target> (132)
c-Met

>  <Form> (132)
Free Base

>  <CAS> (132)
913376-83-7 

>  <URL> (132)
http://www.selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (133)
133

>  <Formula> (133)
C29H27N7O4S

>  <MolWeight> (133)
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>  <Cat> (133)
S2752

>  <Name> (133)
HER2 Inhibitor 1

>  <Synonyms> (133)
N/A

>  <Target> (133)
HER2, EGFR

>  <Form> (133)
Free Base

>  <CAS> (133)
937265-83-3

>  <URL> (133)
http://www.selleckchem.com/products/arry-380.html

$$$$
PHA-848125.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (134)
134

>  <Formula> (134)
C25H32N8O

>  <MolWeight> (134)
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>  <Cat> (134)
S2751

>  <Name> (134)
PHA-848125

>  <Synonyms> (134)
N/A

>  <Target> (134)
CDK

>  <Form> (134)
Free Base

>  <CAS> (134)
802539-81-7

>  <URL> (134)
http://www.selleckchem.com/products/pha-848125.html

$$$$
CHIR-98014.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C32H29F3N6O6

>  <MolWeight> (138)
650.6044696

>  <Cat> (138)
S2749

>  <Name> (138)
NVP-BGT226

>  <Synonyms> (138)
N/A 

>  <Target> (138)
PI3K, mTOR

>  <Form> (138)
Maleate

>  <CAS> (138)
1245537-68-1

>  <URL> (138)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C25H21N7O3

>  <MolWeight> (139)
467.47934

>  <Cat> (139)
S1219

>  <Name> (139)
YM201636

>  <Synonyms> (139)
N/A

>  <Target> (139)
PI3K 

>  <Form> (139)
Free Base

>  <CAS> (139)
371942-69-7

>  <URL> (139)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C6H7N5

>  <MolWeight> (140)
149.15328

>  <Cat> (140)
S2767

>  <Name> (140)
3-Methyladenine (3-MA)

>  <Synonyms> (140)
3-MA

>  <Target> (140)
PI3K

>  <Form> (140)
Free Base

>  <CAS> (140)
5142-23-4

>  <URL> (140)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
ARQ-197.cdx
csChFnd80/08142011082D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C23H19N3O2

>  <MolWeight> (141)
369.41586

>  <Cat> (141)
S2753

>  <Name> (141)
ARQ 197 (Tivantinib)

>  <Synonyms> (141)
N/A 

>  <Target> (141)
c-Met

>  <Form> (141)
Free Base

>  <CAS> (141)
905854-02-6

>  <URL> (141)
http://www.selleckchem.com/products/arq-197.html

$$$$
BX-795.cdx
csChFnd80/08142011082D

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N/A

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PDK-1, IKK

>  <Form> (142)
Free Base

>  <CAS> (142)
702675-74-9

>  <URL> (142)
http://www.selleckchem.com/products/bx-795.html

$$$$
BX-912.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (143)
143

>  <Formula> (143)
C20H23BrN8O

>  <MolWeight> (143)
471.35362

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S1275

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BX-912

>  <Synonyms> (143)
N/A

>  <Target> (143)
PDK-1 

>  <Form> (143)
Free Base

>  <CAS> (143)
702674-56-4

>  <URL> (143)
http://www.selleckchem.com/products/bx-912.html

$$$$
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>  <Mol_ID> (144)
144

>  <Formula> (144)
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>  <MolWeight> (144)
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NVP-BVU972

>  <Synonyms> (144)
N/A

>  <Target> (144)
c-Met

>  <Form> (144)
Free Base

>  <CAS> (144)
1185763-69-2

>  <URL> (144)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$
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>  <Mol_ID> (145)
145

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>  <MolWeight> (145)
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>  <Synonyms> (145)
N/A

>  <Target> (145)
HDAC, PI3K

>  <Form> (145)
Free Base

>  <CAS> (145)
1339928-25-4

>  <URL> (145)
http://www.selleckchem.com/products/cudc-907.html

$$$$

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>  <Mol_ID> (146)
146

>  <Formula> (146)
C27H33FN6O7

>  <MolWeight> (146)
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>  <Cat> (146)
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>  <Name> (146)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (146)
CHIR-258 Dilactic acid 

>  <Target> (146)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (146)
Dilactic Acid 

>  <CAS> (146)
852433-84-2

>  <URL> (146)
http://www.selleckchem.com/products/dovitinib.html

$$$$
AST-1306.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (147)
147

>  <Formula> (147)
C31H26ClFN4O5S

>  <MolWeight> (147)
621.0783432

>  <Cat> (147)
S2185

>  <Name> (147)
AST-1306

>  <Synonyms> (147)
N/A

>  <Target> (147)
EGFR

>  <Form> (147)
Mesylate

>  <CAS> (147)
1050500-29-2

>  <URL> (147)
http://www.selleckchem.com/products/ast-1306.html

$$$$
BMS265246.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (148)
148

>  <Formula> (148)
C18H17F2N3O2

>  <MolWeight> (148)
345.3432864

>  <Cat> (148)
S2014

>  <Name> (148)
BMS-265246

>  <Synonyms> (148)
 N/A  

>  <Target> (148)
CDK

>  <Form> (148)
Free Base

>  <CAS> (148)
582315-72-8

>  <URL> (148)
http://www.selleckchem.com/products/bms-265246.html

$$$$
SB505124.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (149)
149

>  <Formula> (149)
C20H21N3O2

>  <MolWeight> (149)
335.39964

>  <Cat> (149)
S2186

>  <Name> (149)
SB-505124

>  <Synonyms> (149)
N/A 

>  <Target> (149)
TGF-beta/Smad 

>  <Form> (149)
Free Base

>  <CAS> (149)
694433-59-5

>  <URL> (149)
http://www.selleckchem.com/products/sb-505124.html

$$$$
MK-2461.cdx
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>  <Mol_ID> (150)
150

>  <Formula> (150)
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>  <MolWeight> (150)
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>  <Cat> (150)
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MK-2461

>  <Synonyms> (150)
N/A 

>  <Target> (150)
c-Met, FGFR, PDGFR

>  <Form> (150)
Free Base

>  <CAS> (150)
917879-39-1

>  <URL> (150)
http://www.selleckchem.com/products/mk-2461.html

$$$$
Nocodazole.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (151)
151

>  <Formula> (151)
C14H11N3O3S

>  <MolWeight> (151)
301.32044

>  <Cat> (151)
S2775

>  <Name> (151)
Nocodazole

>  <Synonyms> (151)
N/A 

>  <Target> (151)
Microtubule Associated

>  <Form> (151)
Free Base

>  <CAS> (151)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (152)
152

>  <Formula> (152)
C25H30N6O3

>  <MolWeight> (152)
462.5441

>  <Cat> (152)
S2783

>  <Name> (152)
Vistusertib (AZD2014)

>  <Synonyms> (152)
N/A 

>  <Target> (152)
mTOR

>  <Form> (152)
Free Base

>  <CAS> (152)
1009298-59-2

>  <URL> (152)
http://www.selleckchem.com/products/azd2014.html

$$$$
TAK-285.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (153)
153

>  <Formula> (153)
C26H25ClF3N5O3

>  <MolWeight> (153)
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>  <Cat> (153)
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>  <Name> (153)
TAK-285

>  <Synonyms> (153)
N/A

>  <Target> (153)
EGFR, HER2

>  <Form> (153)
Free Base

>  <CAS> (153)
871026-44-7

>  <URL> (153)
http://www.selleckchem.com/products/tak-285.html

$$$$
Piceatannol.cdx
csChFnd80/08142011082D

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Others

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Free Base

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10083-24-6

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

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Sotrastaurin£¨AEB071£©.cdx
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PKC 

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Free Base

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425637-18-9

>  <URL> (155)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

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156

>  <Formula> (156)
C27H31Br2ClN4O2

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>  <Name> (156)
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>  <Synonyms> (156)
N/A 

>  <Target> (156)
Transferase

>  <Form> (156)
Free Base

>  <CAS> (156)
193275-84-2

>  <URL> (156)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

$$$$
AZD4547.cdx
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157

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>  <Synonyms> (157)
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FGFR

>  <Form> (157)
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>  <CAS> (157)
1035270-39-3

>  <URL> (157)
http://www.selleckchem.com/products/azd4547.html

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>  <Mol_ID> (162)
162

>  <Formula> (162)
C24H26N6O2S

>  <MolWeight> (162)
462.56724

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S2806

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CEP33779

>  <Synonyms> (162)
N/A

>  <Target> (162)
JAK

>  <Form> (162)
Free Base

>  <CAS> (162)
1257704-57-6

>  <URL> (162)
http://www.selleckchem.com/products/cep33779.html

$$$$
NVP-TAE226.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (163)
163

>  <Formula> (163)
C23H25ClN6O3

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468.936

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S2820

>  <Name> (163)
NVP-TAE226

>  <Synonyms> (163)
N/A 

>  <Target> (163)
FAK

>  <Form> (163)
Free Base

>  <CAS> (163)
761437-28-9

>  <URL> (163)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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>  <Mol_ID> (164)
164

>  <Formula> (164)
C15H10O7

>  <MolWeight> (164)
302.2357

>  <Cat> (164)
S2391

>  <Name> (164)
Quercetin (Sophoretin)

>  <Synonyms> (164)
Meletin, Quercetine

>  <Target> (164)
PI3K, PKC, Src, Sirtuin

>  <Form> (164)
Free Base

>  <CAS> (164)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/08142011082D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (165)
165

>  <Formula> (165)
C14H20O7

>  <MolWeight> (165)
300.3044

>  <Cat> (165)
S2396

>  <Name> (165)
Salidroside (Rhodioloside)

>  <Synonyms> (165)
Rhodioloside

>  <Target> (165)
Others

>  <Form> (165)
Free Base

>  <CAS> (165)
10338-51-9

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

$$$$
E7080.cdx
csChFnd80/08142011082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (166)
166

>  <Formula> (166)
C21H19ClN4O4

>  <MolWeight> (166)
426.85296

>  <Cat> (166)
S1164

>  <Name> (166)
E7080 (Lenvatinib)

>  <Synonyms> (166)
N/A

>  <Target> (166)
VEGFR

>  <Form> (166)
Free Base

>  <CAS> (166)
417716-92-8

>  <URL> (166)
http://www.selleckchem.com/products/E7080.html

$$$$
AZD8330.cdx
csChFnd80/08142011082D

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>  <Synonyms> (167)
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MEK

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Free Base

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869357-68-6

>  <URL> (167)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

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N/A

>  <Target> (168)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (168)
Free Base

>  <CAS> (168)
1000669-72-6

>  <URL> (168)
http://www.selleckchem.com/products/KW-2449.html

$$$$
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>  <Synonyms> (169)
N/A 

>  <Target> (169)
Raf, VEGFR

>  <Form> (169)
Free Base

>  <CAS> (169)
927880-90-8

>  <URL> (169)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$
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csChFnd80/08142011082D

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>  <Mol_ID> (170)
170

>  <Formula> (170)
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>  <MolWeight> (170)
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>  <Name> (170)
Daphnetin

>  <Synonyms> (170)
N/A 

>  <Target> (170)
DNA/RNA Synthesis

>  <Form> (170)
Free Base

>  <CAS> (170)
486-35-1

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

$$$$
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JAK 

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1229236-86-5

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EGFR, HER2

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848942-61-0

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PLK

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929095-18-1

>  <URL> (173)
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841290-81-1

>  <URL> (174)
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>  <Formula> (175)
C20H22F3N5O

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SGI-1776 free base

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N/A

>  <Target> (175)
Pim

>  <Form> (175)
Free Base

>  <CAS> (175)
1025065-69-3

>  <URL> (175)
http://www.selleckchem.com/products/SGI-1776.html

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>  <Mol_ID> (176)
176

>  <Formula> (176)
C23H15ClF2N4O3

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468.8400064

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S2201

>  <Name> (176)
BMS 794833

>  <Synonyms> (176)
BMS794833

>  <Target> (176)
c-Met, VEGFR

>  <Form> (176)
Free Base

>  <CAS> (176)
1174046-72-0

>  <URL> (176)
http://www.selleckchem.com/products/BMS-794833.html

$$$$
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>  <Mol_ID> (177)
177

>  <Formula> (177)
C26H20F3N7O

>  <MolWeight> (177)
503.4785096

>  <Cat> (177)
S2202

>  <Name> (177)
NVP-BHG712

>  <Synonyms> (177)
N/A

>  <Target> (177)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (177)
Free Base

>  <CAS> (177)
940310-85-0

>  <URL> (177)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
OSI 420.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (178)
178

>  <Formula> (178)
C21H22ClN3O4

>  <MolWeight> (178)
415.87008

>  <Cat> (178)
S2205

>  <Name> (178)
OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (178)
CP-473420 

>  <Target> (178)
EGFR

>  <Form> (178)
Hydrochloride

>  <CAS> (178)
183320-51-6

>  <URL> (178)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
PIK 293.cdx
csChFnd80/08142011082D

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900185-01-5 

>  <URL> (179)
http://www.selleckchem.com/products/PIK-293.html

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HER2

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Free Base

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366017-09-6

>  <URL> (180)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

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TORKinib 

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mTOR

>  <Form> (181)
Free Base

>  <CAS> (181)
1092351-67-1

>  <URL> (181)
http://www.selleckchem.com/products/PP242.html

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    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 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
 14 23  1  6  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
 25 29  1  0  0  0  0
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 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C22H18O11

>  <MolWeight> (183)
458.37172

>  <Cat> (183)
S2250

>  <Name> (183)
(-)-Epigallocatechin gallate

>  <Synonyms> (183)
EGCG

>  <Target> (183)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (183)
Free Base

>  <CAS> (183)
989-51-5

>  <URL> (183)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
(+)-Usniacin.cdx
csChFnd80/08142011082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    1.2082    3.6544    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  1  0  0  0  0
  3  4  2  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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  2  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  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
 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
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C18H16O7

>  <MolWeight> (184)
344.31544

>  <Cat> (184)
S2252

>  <Name> (184)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (184)
D-Usnic acid

>  <Target> (184)
Others

>  <Form> (184)
Free Base

>  <CAS> (184)
7562-61-0

>  <URL> (184)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
AESCULIN.cdx
csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.6289    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  2 13  1  0  0  0  0
 14 13  1  1  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 14  1  0  0  0  0
 16 20  1  1  0  0  0
 18 21  1  1  0  0  0
 20 22  1  0  0  0  0
 17 23  1  6  0  0  0
 19 24  1  6  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C15H16O9

>  <MolWeight> (185)
340.28214

>  <Cat> (185)
S2258

>  <Name> (185)
Aesculin (Esculin)

>  <Synonyms> (185)
Esculin

>  <Target> (185)
Others

>  <Form> (185)
Free Base

>  <CAS> (185)
531-75-9

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

$$$$
Apigenin.cdx
csChFnd80/08142011082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    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
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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  9 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C15H10O5

>  <MolWeight> (186)
270.2369

>  <Cat> (186)
S2262

>  <Name> (186)
Apigenin

>  <Synonyms> (186)
N/A

>  <Target> (186)
P450

>  <Form> (186)
Free Base

>  <CAS> (186)
520-36-5

>  <URL> (186)
http://www.selleckchem.com/products/Apigenin.html

$$$$
Asiatic acid.cdx
csChFnd80/08142011082D

 38 42  0  0  0  0  0  0  0  0999 V2000
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  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> (187)
187

>  <Formula> (187)
C30H48O5

>  <MolWeight> (187)
488.69912

>  <Cat> (187)
S2266

>  <Name> (187)
Asiatic acid

>  <Synonyms> (187)
N/A

>  <Target> (187)
p38 MAPK

>  <Form> (187)
Free Base

>  <CAS> (187)
464-92-6

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

$$$$
Emodin.cdx
csChFnd80/08142011082D

 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> (188)
188

>  <Formula> (188)
C15H10O5

>  <MolWeight> (188)
270.2369

>  <Cat> (188)
S2295

>  <Name> (188)
Emodin

>  <Synonyms> (188)
N/A

>  <Target> (188)
Dehydrogenase

>  <Form> (188)
Free Base

>  <CAS> (188)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/08142011082D

 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> (189)
189

>  <Formula> (189)
C16H12O4

>  <MolWeight> (189)
268.26408

>  <Cat> (189)
S2299

>  <Name> (189)
Formononetin (Formononetol)

>  <Synonyms> (189)
Biochanin B, Formononetol 

>  <Target> (189)
Others

>  <Form> (189)
Free Base

>  <CAS> (189)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/08142011082D

 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> (190)
190

>  <Formula> (190)
C10H10O4

>  <MolWeight> (190)
194.184

>  <Cat> (190)
S2300

>  <Name> (190)
Fumalic acid (Ferulic acid)

>  <Synonyms> (190)
Ferulic acid

>  <Target> (190)
Others

>  <Form> (190)
Free Base

>  <CAS> (190)
1135-24-6

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

$$$$
Hesperetin.cdx
csChFnd80/08142011082D

 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  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
    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
    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
    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
  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  6  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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C16H14O6

>  <MolWeight> (191)
302.27876

>  <Cat> (191)
S2308

>  <Name> (191)
Hesperetin

>  <Synonyms> (191)
N/A

>  <Target> (191)
Histamine Receptor

>  <Form> (191)
Free Base

>  <CAS> (191)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/08142011082D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (192)
192

>  <Formula> (192)
C18H18O2

>  <MolWeight> (192)
266.33432

>  <Cat> (192)
S2310

>  <Name> (192)
Honokiol

>  <Synonyms> (192)
N/A

>  <Target> (192)
Akt, MEK

>  <Form> (192)
Free Base

>  <CAS> (192)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/08142011082D

 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  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
   10.8993    6.2903    0.0000 O   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    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C15H10O8

>  <MolWeight> (193)
318.2351

>  <Cat> (193)
S2326

>  <Name> (193)
Myricetin (Cannabiscetin)

>  <Synonyms> (193)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (193)
NULL

>  <Form> (193)
Free Base

>  <CAS> (193)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/08142011082D

 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
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C21H20O12

>  <MolWeight> (194)
464.3763

>  <Cat> (194)
S2327

>  <Name> (194)
Myricitrin (Myricitrine)

>  <Synonyms> (194)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (194)
PKC

>  <Form> (194)
Free Base

>  <CAS> (194)
17912-87-7

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/08142011082D

 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> (195)
195

>  <Formula> (195)
C15H14O9

>  <MolWeight> (195)
338.26626

>  <Cat> (195)
S2347

>  <Name> (195)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (195)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (195)
Others

>  <Form> (195)
Dihydrate

>  <CAS> (195)
6151-25-3

>  <URL> (195)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/08142011082D

 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> (196)
196

>  <Formula> (196)
C15H12O8

>  <MolWeight> (196)
320.25098

>  <Cat> (196)
S2399

>  <Name> (196)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (196)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (196)
Others

>  <Form> (196)
Free Base

>  <CAS> (196)
27200-12-0

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

$$$$
Sophocarpine.cdx
csChFnd80/08142011082D

 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> (197)
197

>  <Formula> (197)
C15H22N2O

>  <MolWeight> (197)
246.34798

>  <Cat> (197)
S2405

>  <Name> (197)
Sophocarpine

>  <Synonyms> (197)
N/A

>  <Target> (197)
Others

>  <Form> (197)
Free Base

>  <CAS> (197)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/08142011082D

 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
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M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C15H10O4

>  <MolWeight> (198)
254.2375

>  <Cat> (198)
S2406

>  <Name> (198)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (198)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (198)
EGFR, mTOR

>  <Form> (198)
Free Base

>  <CAS> (198)
481-74-3

>  <URL> (198)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C15H24O2

>  <MolWeight> (199)
236.34986

>  <Cat> (199)
S2407

>  <Name> (199)
Curcumol

>  <Synonyms> (199)
N/A

>  <Target> (199)
JAK

>  <Form> (199)
Free Base

>  <CAS> (199)
4871-97-0

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

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C18H29ClN2O

>  <MolWeight> (200)
324.88866

>  <Cat> (200)
S2454

>  <Name> (200)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (200)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (200)
Sodium Channel

>  <Form> (200)
Hydrochloride

>  <CAS> (200)
18010-40-7

>  <URL> (200)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
Imatinib.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (201)
201

>  <Formula> (201)
C29H31N7O

>  <MolWeight> (201)
493.60274

>  <Cat> (201)
S2475

>  <Name> (201)
Imatinib (STI571) 

>  <Synonyms> (201)
STI571, Glivec

>  <Form> (201)
Free Base

>  <CAS> (201)
152459-95-5

>  <URL> (201)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$
PCI-32765.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (202)
202

>  <Formula> (202)
C25H24N6O2

>  <MolWeight> (202)
440.49706

>  <Cat> (202)
S2680

>  <Name> (202)
PCI-32765 (Ibrutinib)

>  <Synonyms> (202)
N/A

>  <Target> (202)
Src

>  <Form> (202)
Free Base

>  <CAS> (202)
936563-96-1

>  <URL> (202)
http://www.selleckchem.com/products/pci-32765.html

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Free Base

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934541-31-8

>  <URL> (203)
http://www.selleckchem.com/products/tak-901.html

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936091-14-4

>  <URL> (204)
http://www.selleckchem.com/products/tg101209.html

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945595-80-2

>  <URL> (205)
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M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C22H30Cl2N4O6

>  <MolWeight> (206)
517.4028

>  <Cat> (206)
S2485

>  <Name> (206)
Mitoxantrone 2HCl

>  <Synonyms> (206)
NSC-301739

>  <Target> (206)
Topoisomerase

>  <Form> (206)
Dihydrochloride

>  <CAS> (206)
70476-82-3

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

$$$$
GSK2126458.cdx
csChFnd80/08142011082D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C25H17F2N5O3S

>  <MolWeight> (207)
505.4959864

>  <Cat> (207)
S2658

>  <Name> (207)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (207)
N/A 

>  <Target> (207)
PI3K, mTOR

>  <Form> (207)
Free Base

>  <CAS> (207)
1086062-66-9 

>  <URL> (207)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C19H34ClNO2

>  <MolWeight> (208)
343.93176

>  <Cat> (208)
S5002

>  <Name> (208)
Fingolimod (FTY720) HCl

>  <Synonyms> (208)
Gilenia 

>  <Target> (208)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (208)
Hydrochloride

>  <URL> (208)
http://www.selleckchem.com/products/FTY720.html

$$$$
CAL-1011.cdx
csChFnd80/08142011082D

 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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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C22H18FN7O

>  <MolWeight> (209)
415.4230232

>  <Cat> (209)
S2226

>  <Name> (209)
CAL-101 (GS-1101)

>  <Synonyms> (209)
CAL101

>  <Target> (209)
PI3K 

>  <Form> (209)
Free Base

>  <CAS> (209)
870281-82-6

>  <URL> (209)
http://www.selleckchem.com/products/CAL-101.html

$$$$
BI 6727.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (210)
210

>  <Formula> (210)
C34H50N8O3

>  <MolWeight> (210)
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>  <Name> (210)
BI6727 (Volasertib)

>  <Synonyms> (210)
N/A 

>  <Target> (210)
PLK 

>  <Form> (210)
Free Base

>  <CAS> (210)
755038-65-4

>  <URL> (210)
http://www.selleckchem.com/products/BI6727-Volasertib.html

$$$$
PIK-294.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (211)
211

>  <Formula> (211)
C28H23N7O2

>  <MolWeight> (211)
489.52792

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S2227

>  <Name> (211)
PIK-294

>  <Synonyms> (211)
N/A 

>  <Target> (211)
PI3K 

>  <Form> (211)
Free Base

>  <CAS> (211)
900185-02-6

>  <URL> (211)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/08142011082D

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>  <Mol_ID> (212)
212

>  <Formula> (212)
C20H16ClN5O3

>  <MolWeight> (212)
409.82574

>  <Cat> (212)
S2231

>  <Name> (212)
Telatinib (BAY 57-9352)

>  <Synonyms> (212)
N/A 

>  <Target> (212)
VEGFR, PDGFR, c-Kit

>  <Form> (212)
Free Base

>  <CAS> (212)
332012-40-5

>  <URL> (212)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (213)
213

>  <Formula> (213)
C10H16ClN5

>  <MolWeight> (213)
241.72054

>  <Cat> (213)
S2542

>  <Name> (213)
Phenformin hydrochloride 

>  <Synonyms> (213)
N/A

>  <Target> (213)
AMPK

>  <Form> (213)
Hydrochloride 

>  <CAS> (213)
834-28-6

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

$$$$
AZD5438.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C18H21N5O2S

>  <MolWeight> (214)
371.45664

>  <Cat> (214)
S2621

>  <Name> (214)
AZD5438

>  <Synonyms> (214)
N/A 

>  <Target> (214)
CDK

>  <Form> (214)
Free Base

>  <CAS> (214)
602306-29-6 

>  <URL> (214)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C21H22N6O3

>  <MolWeight> (215)
406.43778

>  <Cat> (215)
S2624

>  <Name> (215)
OSI-027

>  <Synonyms> (215)
N/A 

>  <Target> (215)
mTOR

>  <Form> (215)
Free Base

>  <CAS> (215)
936890-98-1

>  <URL> (215)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C17H17N7

>  <MolWeight> (216)
319.36378

>  <Cat> (216)
S2622

>  <Name> (216)
PP-121

>  <Synonyms> (216)
N/A

>  <Target> (216)
DNA-PK, mTOR, PDGF

>  <Form> (216)
Free Base

>  <CAS> (216)
1092788-83-4

>  <URL> (216)
http://www.selleckchem.com/products/PP121.html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C11H18ClNO3

>  <MolWeight> (217)
247.71852

>  <Cat> (217)
S2566

>  <Name> (217)
Isoprenaline hydrochloride

>  <Synonyms> (217)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (217)
Adrenergic Receptor

>  <Form> (217)
Hydrochloride

>  <CAS> (217)
51-30-9

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

$$$$
BKM-120.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C18H21F3N6O2

>  <MolWeight> (218)
410.3935496

>  <Cat> (218)
S2247

>  <Name> (218)
BKM120 (NVP-BKM120)

>  <Synonyms> (218)
N/A 

>  <Target> (218)
PI3K

>  <Form> (218)
Free Base

>  <CAS> (218)
944396-07-0

>  <URL> (218)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/08142011082D

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PKC

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1009820-21-6

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700874-72-2

>  <URL> (220)
http://www.selleckchem.com/products/ly2157299.html

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>  <URL> (221)
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>  <CAS> (222)
885499-61-6

>  <URL> (222)
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1234703-40-2

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871700-17-3

>  <URL> (240)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

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PHA-665752

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N/A 

>  <Target> (241)
c-Met

>  <Form> (241)
Free Base

>  <CAS> (241)
477575-56-7

>  <URL> (241)
http://www.selleckchem.com/products/PHA-665752.html

$$$$
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>  <Name> (242)
Geldanamycin

>  <Synonyms> (242)
N/A

>  <Target> (242)
HSP

>  <Form> (242)
Free Base

>  <CAS> (242)
30562-34-6

>  <URL> (242)
http://www.selleckchem.com/products/geldanamycin.html

$$$$
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JAK 

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Free Base

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936091-26-8

>  <URL> (247)
http://www.selleckchem.com/products/tg-101348.html

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AZ 3146

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>  <Target> (248)
Kinesin

>  <Form> (248)
Free Base

>  <CAS> (248)
1124329-14-1

>  <URL> (248)
http://www.selleckchem.com/products/az-3146.html

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N/A

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PI3K, mTOR

>  <Form> (249)
Free Base

>  <CAS> (249)
1007207-67-1

>  <URL> (249)
http://www.selleckchem.com/products/ch5132799.html

$$$$
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mTOR, PI3K

>  <Form> (250)
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>  <CAS> (250)
1032754-93-0

>  <URL> (250)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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251

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C21H21Cl2NO5

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Flavopiridol (Alvocidib) HCl

>  <Synonyms> (251)
N/A

>  <Target> (251)
CDK

>  <Form> (251)
Hydrochloride

>  <CAS> (251)
131740-09-5

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

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252

>  <Formula> (252)
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477.2986664

>  <Cat> (252)
S2726

>  <Name> (252)
PH-797804

>  <Synonyms> (252)
N/A

>  <Target> (252)
p38 MAPK

>  <Form> (252)
Free Base

>  <CAS> (252)
586379-66-0

>  <URL> (252)
http://www.selleckchem.com/products/ph-797804.html

$$$$
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>  <Mol_ID> (253)
253

>  <Formula> (253)
C24H25ClFN5O2

>  <MolWeight> (253)
469.9390032

>  <Cat> (253)
S2727

>  <Name> (253)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (253)
N/A

>  <Target> (253)
EGFR

>  <Form> (253)
Free Base

>  <CAS> (253)
1110813-31-4

>  <URL> (253)
http://www.selleckchem.com/products/pf299804.html

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SB415286.cdx
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>  <Mol_ID> (254)
254

>  <Formula> (254)
C16H10ClN3O5

>  <MolWeight> (254)
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>  <Cat> (254)
S2729

>  <Name> (254)
SB 415286

>  <Synonyms> (254)
N/A

>  <Target> (254)
GSK-3

>  <Form> (254)
Free Base

>  <CAS> (254)
264218-23-7

>  <URL> (254)
http://www.selleckchem.com/products/sb-415286.html

$$$$
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1010085-13-8

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C16H14ClN3O2

>  <MolWeight> (259)
315.75426

>  <Cat> (259)
S2728

>  <Name> (259)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (259)
Tyrphostin AG-1478

>  <Target> (259)
EGFR

>  <Form> (259)
Free Base

>  <CAS> (259)
153436-53-4

>  <URL> (259)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/08142011082D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C22H27N5O4

>  <MolWeight> (260)
425.48088

>  <Cat> (260)
S2743

>  <Name> (260)
PF-04691502

>  <Synonyms> (260)
N/A

>  <Target> (260)
mTOR, PI3K, Akt

>  <Form> (260)
Free Base

>  <CAS> (260)
1013101-36-4 

>  <URL> (260)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C28H32ClN3O6

>  <MolWeight> (261)
542.02318

>  <Cat> (261)
S2017

>  <Name> (261)
Benidipine hydrochloride

>  <Synonyms> (261)
N/A

>  <Target> (261)
calcium channel

>  <Form> (261)
Hydrochloride

>  <CAS> (261)
91599-74-5

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

$$$$
Lonidamine.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (262)
262

>  <Formula> (262)
C15H10Cl2N2O2

>  <MolWeight> (262)
321.1581

>  <Cat> (262)
S2610

>  <Name> (262)
Lonidamine

>  <Synonyms> (262)
N/A

>  <Target> (262)
Others

>  <Form> (262)
Free Base

>  <CAS> (262)
50264-69-2

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

$$$$
CP 673451.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C24H27N5O2

>  <MolWeight> (263)
417.50348

>  <Cat> (263)
S1536

>  <Name> (263)
CP 673451

>  <Synonyms> (263)
CP673451 

>  <Target> (263)
Others

>  <Form> (263)
Free Base

>  <CAS> (263)
343787-29-1

>  <URL> (263)
http://www.selleckchem.com/products/CP-673451.html

$$$$
Acarbose.cdx
csChFnd80/08142011082D

 44 47  0  0  0  0  0  0  0  0999 V2000
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264

>  <Formula> (264)
C25H43NO18

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S1271

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Acarbose

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Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (264)
Others

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Free Base

>  <CAS> (264)
56180-94-0

>  <URL> (264)
http://www.selleckchem.com/products/Acarbose.html

$$$$
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csChFnd80/08142011082D

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>  <Mol_ID> (265)
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C14H22N2O

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S1357

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Lidocaine (Alphacaine)

>  <Synonyms> (265)
Alphacaine, Xylocaine, lignocaine

>  <Target> (265)
Histamine Receptor

>  <Form> (265)
Free Base

>  <CAS> (265)
137-58-6

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

$$$$
PHA.cdx
csChFnd80/08142011082D

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N/A 

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CDK

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Free Base

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845714-00-3

>  <URL> (266)
http://www.selleckchem.com/products/pha-767491.html

$$$$
TPCA-1.cdx
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267

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TPCA-1

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N/A 

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IKK

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Free Base

>  <CAS> (267)
507475-17-4

>  <URL> (267)
http://www.selleckchem.com/products/tpca-1.html

$$$$
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csChFnd80/08142011082D

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268

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AZD6482

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1173900-33-8

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845272-21-1

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865854-05-3 

>  <URL> (270)
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273

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N/A

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IKK

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Free Base

>  <CAS> (273)
978-62-1

>  <URL> (273)
http://www.selleckchem.com/products/imd-0354.html

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E7050.cdx
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274

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C33H37F2N7O4

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S2859

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Golvatinib (E7050) 

>  <Synonyms> (274)
E7050

>  <Target> (274)
c-Met, VEGFR

>  <Form> (274)
Free Base

>  <CAS> (274)
928037-13-2

>  <URL> (274)
http://www.selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/08142011082D

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275

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C16H14BrN3O3

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S2867

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WHI-P154

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N/A

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JAK, EGFR

>  <Form> (275)
Free Base

>  <CAS> (275)
211555-04-3

>  <URL> (275)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Schisandrin B.cdx
csChFnd80/08142011082D

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276

>  <Formula> (276)
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>  <MolWeight> (276)
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>  <Cat> (276)
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Schisandrin B

>  <Synonyms> (276)
N/A

>  <Target> (276)
Others

>  <Form> (276)
Free Base

>  <CAS> (276)
61281-37-6

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

$$$$
IKK-16.cdx
csChFnd80/08142011082D

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504433-23-2

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501437-28-1

>  <URL> (280)
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193000-39-4

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>  <Mol_ID> (282)
282

>  <Formula> (282)
C16H13ClFN3O2

>  <MolWeight> (282)
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>  <Cat> (282)
S2897

>  <Name> (282)
ZM 306416

>  <Synonyms> (282)
N/A

>  <Target> (282)
VEGFR

>  <Form> (282)
Free Base

>  <CAS> (282)
690206-97-4

>  <URL> (282)
http://www.selleckchem.com/products/zm-306416.html

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (283)
283

>  <Formula> (283)
C19H21ClFNO3

>  <MolWeight> (283)
365.8263432

>  <Cat> (283)
S3005

>  <Name> (283)
Paroxetine HCl

>  <Synonyms> (283)
N/A

>  <Target> (283)
5-HT Receptor

>  <Form> (283)
Hydrochloride

>  <CAS> (283)
78246-49-8

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

$$$$
PF477736.cdx
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>  <Mol_ID> (284)
284

>  <Formula> (284)
C22H25N7O2

>  <MolWeight> (284)
419.4796

>  <Cat> (284)
S2904

>  <Name> (284)
PF 477736

>  <Synonyms> (284)
PF-00477736

>  <Target> (284)
Chk

>  <Form> (284)
Free Base

>  <CAS> (284)
952021-60-2

>  <URL> (284)
http://www.selleckchem.com/products/pf-477736.html

$$$$
Go 6983.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (285)
285

>  <Formula> (285)
C26H26N4O3

>  <MolWeight> (285)
442.50964

>  <Cat> (285)
S2911

>  <Name> (285)
Go 6983

>  <Synonyms> (285)
N/A

>  <Target> (285)
PKC

>  <Form> (285)
Free Base

>  <CAS> (285)
133053-19-7

>  <URL> (285)
http://www.selleckchem.com/products/go-6983.html

$$$$
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>  <Mol_ID> (290)
290

>  <Formula> (290)
C24H21N3OS

>  <MolWeight> (290)
399.50804

>  <Cat> (290)
S2928

>  <Name> (290)
TAK 715

>  <Synonyms> (290)
N/A 

>  <Target> (290)
p38 MAPK

>  <Form> (290)
Free Base

>  <CAS> (290)
303162-79-0

>  <URL> (290)
http://www.selleckchem.com/products/tak-715.html

$$$$
TDZD-8.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C10H10N2O2S

>  <MolWeight> (291)
222.2636

>  <Cat> (291)
S2926

>  <Name> (291)
TDZD-8

>  <Synonyms> (291)
N/A

>  <Target> (291)
GSK-3

>  <Form> (291)
Free Base

>  <CAS> (291)
327036-89-5 

>  <URL> (291)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
Melatonin.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C13H16N2O2

>  <MolWeight> (292)
232.27834

>  <Cat> (292)
S1204

>  <Name> (292)
Melatonin

>  <Synonyms> (292)
Melatonex

>  <Target> (292)
MT Receptor

>  <Form> (292)
Free Base

>  <CAS> (292)
73-31-4

>  <URL> (292)
http://www.selleckchem.com/products/Melatonin.html

$$$$
H-89.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C20H22BrCl2N3O2S

>  <MolWeight> (293)
519.28258

>  <Cat> (293)
S1582

>  <Name> (293)
H 89 2HCl

>  <Synonyms> (293)
N/A

>  <Target> (293)
S6 Kinase

>  <Form> (293)
Dihydrochloride

>  <CAS> (293)
130964-39-5

>  <URL> (293)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C15H13N3O3S

>  <MolWeight> (294)
315.34702

>  <Cat> (294)
S1830

>  <Name> (294)
Oxfendazole

>  <Synonyms> (294)
N/A

>  <Target> (294)
Antifection

>  <Form> (294)
Free Base

>  <CAS> (294)
53716-50-0

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C18H23Cl2NO

>  <MolWeight> (295)
340.28732

>  <Cat> (295)
S2499

>  <Name> (295)
Phenoxybenzamine HCl

>  <Synonyms> (295)
N/A

>  <Target> (295)
Androgen Receptor

>  <Form> (295)
HCl

>  <CAS> (295)
63-92-3

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

$$$$
Pazopanib.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (296)
296

>  <Formula> (296)
C21H23N7O2S

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S3012

>  <Name> (296)
Pazopanib

>  <Synonyms> (296)
N/A

>  <Target> (296)
VEGFR

>  <Form> (296)
Free Base

>  <CAS> (296)
444731-52-6

>  <URL> (296)
http://www.selleckchem.com/products/pazopanib.html

$$$$
GNF-2.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (297)
297

>  <Formula> (297)
C18H13F3N4O2

>  <MolWeight> (297)
374.3166296

>  <Cat> (297)
S2899

>  <Name> (297)
GNF-2

>  <Synonyms> (297)
N/A

>  <Target> (297)
Bcr-Abl

>  <Form> (297)
Free Base

>  <CAS> (297)
778270-11-4

>  <URL> (297)
http://www.selleckchem.com/products/gnf-2.html

$$$$
OSI-906.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (298)
298

>  <Formula> (298)
C26H23N5O

>  <MolWeight> (298)
421.49372

>  <Cat> (298)
S1091

>  <Name> (298)
OSI-906 (Linsitinib)

>  <Synonyms> (298)
N/A

>  <Target> (298)
IGF-1R

>  <Form> (298)
Free Base

>  <CAS> (298)
867160-71-2

>  <URL> (298)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (299)
299

>  <Formula> (299)
C9H14N4O5

>  <MolWeight> (299)
258.23126

>  <Cat> (299)
S1802

>  <Name> (299)
AICAR (Acadesine)

>  <Synonyms> (299)
AICAR, AICA-riboside

>  <Target> (299)
AMPK

>  <Form> (299)
Free Base

>  <CAS> (299)
2627-69-2

>  <URL> (299)
http://www.selleckchem.com/products/Acadesine.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/08142011082D

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Cabozantinib malate

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N/A

>  <Target> (300)
VEGFR

>  <Form> (300)
Malate

>  <CAS> (300)
1140909-48-3

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

$$$$
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>  <Synonyms> (301)
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>  <Target> (301)
S6 Kinase

>  <Form> (301)
Free Base

>  <CAS> (301)
1255517-76-0

>  <URL> (301)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
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302

>  <Formula> (302)
C42H38O20

>  <MolWeight> (302)
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>  <Cat> (302)
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>  <Name> (302)
Sennoside B

>  <Synonyms> (302)
N/A

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <CAS> (302)
128-57-4

>  <URL> (302)
http://www.selleckchem.com/products/sennoside-b.html

$$$$
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1485-00-3

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209410-46-8

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M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C15H12O7

>  <MolWeight> (308)
304.25158

>  <Cat> (308)
S2366

>  <Name> (308)
Taxifolin (Dihydroquercetin)

>  <Synonyms> (308)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (308)
VEGFR

>  <Form> (308)
Free Base

>  <CAS> (308)
480-18-2

>  <URL> (308)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

$$$$
Flufenamic acid.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C14H10F3NO2

>  <MolWeight> (309)
281.2299096

>  <Cat> (309)
S4268

>  <Name> (309)
Flufenamic acid

>  <Synonyms> (309)
N/A

>  <Target> (309)
COX

>  <Form> (309)
Free Base

>  <CAS> (309)
530-78-9

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

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/08142011082D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 30 15  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C19H20F3IN2O5S

>  <MolWeight> (310)
572.3371796

>  <Cat> (310)
S1089

>  <Name> (310)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (310)
BAY 869766

>  <Target> (310)
MEK

>  <Form> (310)
Free Base

>  <CAS> (310)
923032-37-5

>  <URL> (310)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C19H12O6

>  <MolWeight> (311)
336.29498

>  <Cat> (311)
S4299

>  <Name> (311)
Dicoumarol

>  <Synonyms> (311)
Dicumarol

>  <Target> (311)
Others

>  <Form> (311)
Free Base

>  <CAS> (311)
66-76-2

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/08142011082D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (312)
312

>  <Formula> (312)
C24H25ClFN5O3

>  <MolWeight> (312)
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>  <Cat> (312)
S1011

>  <Name> (312)
Afatinib (BIBW2992)

>  <Synonyms> (312)
N/A

>  <Target> (312)
EGFR

>  <Form> (312)
Free Base

>  <CAS> (312)
439081-18-2

>  <URL> (312)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C44H69NO12

>  <MolWeight> (313)
804.01816

>  <Cat> (313)
S5003

>  <Name> (313)
Tacrolimus (FK506)

>  <Synonyms> (313)
FR900506

>  <Target> (313)
mTOR

>  <Form> (313)
Free Base

>  <CAS> (313)
104987-11-3

>  <URL> (313)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C56H87NO16

>  <MolWeight> (314)
1030.28708

>  <Cat> (314)
S1044

>  <Name> (314)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (314)
N/A

>  <Target> (314)
mTOR

>  <Form> (314)
Free Base

>  <CAS> (314)
162635-04-3

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (315)
315

>  <Formula> (315)
C25H31N7O6

>  <MolWeight> (315)
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>  <Cat> (315)
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ENMD-2076 L-(+)-Tartaric acid

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N/A

>  <Target> (315)
FLT3

>  <Form> (315)
Free Base

>  <CAS> (315)
1291074-87-7

>  <URL> (315)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (316)
316

>  <Formula> (316)
C21H22Cl2FN5O

>  <MolWeight> (316)
450.3366832

>  <Cat> (316)
S1068

>  <Name> (316)
Crizotinib (PF-02341066)

>  <Synonyms> (316)
N/A 

>  <Target> (316)
c-Met, ALK

>  <Form> (316)
Free Base

>  <CAS> (316)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (316)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/08142011082D

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>  <Mol_ID> (317)
317

>  <Formula> (317)
C27H27FN8O3

>  <MolWeight> (317)
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S1056

>  <Name> (317)
AC480 (BMS-599626)

>  <Synonyms> (317)
N/A

>  <Target> (317)
HER2

>  <Form> (317)
Free Base

>  <CAS> (317)
714971-09-2

>  <URL> (317)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (318)
318

>  <Formula> (318)
C21H20ClNO5

>  <MolWeight> (318)
401.8402

>  <Cat> (318)
S1230

>  <Name> (318)
Flavopiridol (Alvocidib)

>  <Synonyms> (318)
NSC 649890 HCl,HMR-1275

>  <Target> (318)
CDK

>  <Form> (318)
Free Base

>  <CAS> (318)
146426-40-6

>  <URL> (318)
http://www.selleckchem.com/products/Flavopiridol.html

$$$$

csChFnd80/08142011082D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   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
    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
    6.0622    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.3877   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C6H13Li3O11

>  <MolWeight> (319)
281.98382

>  <Cat> (319)
S4519

>  <Name> (319)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (319)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (319)
Others

>  <Form> (319)
Free Base

>  <CAS> (319)
6080-58-6

>  <URL> (319)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
Danthron.cdx
csChFnd80/08142011082D

 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
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C14H8O4

>  <MolWeight> (320)
240.21092

>  <Cat> (320)
S4561

>  <Name> (320)
Danthron

>  <Synonyms> (320)
chrysazin, Antrapurol

>  <Target> (320)
Others

>  <Form> (320)
Free Base

>  <CAS> (320)
117-10-2

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

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/08142011082D

 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
    2.4249    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4660    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C14H23ClN2O

>  <MolWeight> (321)
270.79822

>  <Cat> (321)
S4667

>  <Name> (321)
Lidocaine hydrochloride

>  <Synonyms> (321)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (321)
Others

>  <Form> (321)
hydrochloride

>  <CAS> (321)
73-78-9

>  <URL> (321)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4711 Esculetin.cdx
csChFnd80/08142011082D

 13 14  0  0  0  0  0  0  0  0999 V2000
    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    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
    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
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C9H6O4

>  <MolWeight> (322)
178.14154

>  <Cat> (322)
S4711

>  <Name> (322)
Esculetin

>  <Synonyms> (322)
Cichorigenin|Aesculetin

>  <Target> (322)
Others

>  <Form> (322)
Free Base

>  <CAS> (322)
305-01-1

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

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/08142011082D

 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> (323)
323

>  <Formula> (323)
C6H12O5

>  <MolWeight> (323)
164.15648

>  <Cat> (323)
S4701

>  <Name> (323)
2-Deoxy-D-glucose

>  <Synonyms> (323)
2-deoxyglucose, NSC 15193

>  <Target> (323)
Others

>  <Form> (323)
Free Base

>  <CAS> (323)
154-17-6

>  <URL> (323)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/08142011082D

 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
    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
    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
    9.6995    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.4828    2.7976    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 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
 10 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 18  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
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C21H26ClN3OS

>  <MolWeight> (324)
403.96864

>  <Cat> (324)
S4731

>  <Name> (324)
Perphenazine

>  <Synonyms> (324)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (324)
Dopamine Receptor

>  <Form> (324)
Free Base

>  <CAS> (324)
58-39-9

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

$$$$

csChFnd80/08142011082D

 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
    0.5179    2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428    1.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3746    0.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    1.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    3.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578    1.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1702    2.3675    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3826    1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5950    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1919820-28-2

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PDGFR

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15421-84-8

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

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S4743 Wogonin.cdx
csChFnd80/08142011082D

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327

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Wogonin

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Vogonin

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CDK

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Free Base

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632-85-9

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

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859212-16-1

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

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csChFnd80/08142011082D

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M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C37H42Cl2N2O6

>  <MolWeight> (329)
681.64518

>  <Cat> (329)
S3609

>  <Name> (329)
Berbamine (dihydrochloride)

>  <Synonyms> (329)
N/A

>  <Target> (329)
NF-¦ÊB,bcr/abl

>  <Form> (329)
dihydrochloride

>  <CAS> (329)
6078-17-7

>  <URL> (329)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/08142011082D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C18H16O8

>  <MolWeight> (330)
360.31484

>  <Cat> (330)
S3612

>  <Name> (330)
Rosmarinic acid

>  <Synonyms> (330)
Rosemary acid

>  <Target> (330)
IKK ¦Â

>  <Form> (330)
free base

>  <CAS> (330)
20283-92-5

>  <URL> (330)
http://www.selleckchem.com/products/rosmarinic-acid.html

$$$$
S3606 Fangchinoline.cdx
csChFnd80/08142011082D

 45 51  0  0  0  0  0  0  0  0999 V2000
    2.4346    8.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614    8.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2048    8.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7207    6.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    6.0514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   10.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1572    3.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551    2.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8066   10.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0852    7.9086    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9050   12.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0388    2.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4389    2.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0330   10.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3874    6.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3443    8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2123    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.3957    5.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5568    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0789    4.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    3.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7257    4.1871    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  1  0  0  0
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  4  9  1  0  0  0  0
  4 10  1  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
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 35 38  1  0  0  0  0
 36 41  1  0  0  0  0
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 39 44  2  0  0  0  0
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 43 45  2  0  0  0  0
M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C37H40N2O6

>  <MolWeight> (331)
608.7233

>  <Cat> (331)
S3606

>  <Name> (331)
Fangchinoline

>  <Synonyms> (331)
N/A

>  <Target> (331)
HIV-1

>  <Form> (331)
free base

>  <CAS> (331)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/08142011082D

  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> (332)
332

>  <Formula> (332)
C4H7NO2

>  <MolWeight> (332)
101.10388

>  <Cat> (332)
S3699

>  <Name> (332)
2,3-Butanedione-2-monoxime

>  <Synonyms> (332)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (332)
skeletal muscle myosin-II

>  <Form> (332)
free base

>  <CAS> (332)
57-71-6

>  <URL> (332)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/08142011082D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C48H78O19

>  <MolWeight> (333)
959.12152

>  <Cat> (333)
S3616

>  <Name> (333)
Asiaticoside

>  <Synonyms> (333)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (333)
Others

>  <Form> (333)
free base

>  <CAS> (333)
16830-15-2

>  <URL> (333)
http://www.selleckchem.com/products/asiaticoside.html

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C37H40N2O6

>  <MolWeight> (334)
608.7233

>  <Cat> (334)
S3611

>  <Name> (334)
(+)-Fangchinoline

>  <Synonyms> (334)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (334)
Others

>  <Form> (334)
free base

>  <CAS> (334)
436-77-1

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

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/08142011082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C15H18O2

>  <MolWeight> (335)
230.30222

>  <Cat> (335)
S3615

>  <Name> (335)
Dehydrocostus Lactone

>  <Synonyms> (335)
N/A

>  <Target> (335)
 IKK¦Â

>  <Form> (335)
free base

>  <CAS> (335)
477-43-0

>  <URL> (335)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

$$$$
S3626 Sesamol.cdx
csChFnd80/08142011082D

 10 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C7H6O3

>  <MolWeight> (336)
138.12074

>  <Cat> (336)
S3626

>  <Name> (336)
Sesamol

>  <Synonyms> (336)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (336)
Others

>  <Form> (336)
free base

>  <CAS> (336)
533-31-3

>  <URL> (336)
http://www.selleckchem.com/products/sesamol.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/08142011082D

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  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> (337)
337

>  <Formula> (337)
C11H8O3

>  <MolWeight> (337)
188.17942

>  <Cat> (337)
S3661

>  <Name> (337)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (337)
N/A

>  <Target> (337)
PKC

>  <Form> (337)
free base

>  <CAS> (337)
2348-82-5

>  <URL> (337)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/08142011082D

 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> (338)
338

>  <Formula> (338)
C16H14N2O4

>  <MolWeight> (338)
298.29336

>  <Cat> (338)
S3648

>  <Name> (338)
Amlexanox

>  <Synonyms> (338)
AA-673, CHX-3673

>  <Target> (338)
TBK1,IKK-¦Å

>  <Form> (338)
free base

>  <CAS> (338)
68302-57-8

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

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/08142011082D

 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> (339)
339

>  <Formula> (339)
C15H14O3

>  <MolWeight> (339)
242.26986

>  <Cat> (339)
S3939

>  <Name> (339)
4'-Methoxyresveratrol

>  <Synonyms> (339)
N/A

>  <Target> (339)
Others

>  <Form> (339)
free base

>  <CAS> (339)
33626-08-3

>  <URL> (339)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/08142011082D

 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> (340)
340

>  <Formula> (340)
C6H13NO4

>  <MolWeight> (340)
163.17172

>  <Cat> (340)
S3839

>  <Name> (340)
1-Deoxynojirimycin

>  <Synonyms> (340)
duvoglustat, moranolin

>  <Target> (340)
¦Á-glucosidase

>  <Form> (340)
free base

>  <CAS> (340)
19130-96-2

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

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/08142011082D

 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> (341)
341

>  <Formula> (341)
C13H13ClN2O

>  <MolWeight> (341)
248.70812

>  <Cat> (341)
S3817

>  <Name> (341)
Harmine hydrochloride

>  <Synonyms> (341)
telepathine hydrochloride

>  <Target> (341)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (341)
hydrochloride

>  <CAS> (341)
343-27-1

>  <URL> (341)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/08142011082D

 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
    4.8497    3.5000    0.0000 O   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
    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
    2.4249    3.5000    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
    8.4927    8.3967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2935    0.0000 O   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
    8.4870    0.0000    0.0000 O   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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    9.0935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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> (342)
342

>  <Formula> (342)
C21H20O11

>  <MolWeight> (342)
448.3769

>  <Cat> (342)
S3824

>  <Name> (342)
Quercitrin

>  <Synonyms> (342)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (342)
Others

>  <Form> (342)
free base

>  <CAS> (342)
522-12-3

>  <URL> (342)
http://www.selleckchem.com/products/quercitrin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/08142011082D

 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
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   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
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  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> (343)
343

>  <Formula> (343)
C17H26O4

>  <MolWeight> (343)
294.38594

>  <Cat> (343)
S3836

>  <Name> (343)
6-Gingerol

>  <Synonyms> (343)
CI-1011

>  <Target> (343)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (343)
free base

>  <CAS> (343)
23513-14-6

>  <URL> (343)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/08142011082D

 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
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    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
    3.6388    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6145    5.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    3.1793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    7.3758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0010    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3471    4.6019    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  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> (344)
344

>  <Formula> (344)
C19H17NaO6S

>  <MolWeight> (344)
396.38945

>  <Cat> (344)
S3766

>  <Name> (344)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (344)
N/A

>  <Target> (344)
CYP3A4

>  <Form> (344)
sodium salt

>  <CAS> (344)
69659-80-9

>  <URL> (344)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/08142011082D

 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> (345)
345

>  <Formula> (345)
C8H8O4

>  <MolWeight> (345)
168.14672

>  <Cat> (345)
S3759

>  <Name> (345)
Norcantharidin

>  <Synonyms> (345)
Endothall anhydride

>  <Target> (345)
c-Met,EGFR

>  <Form> (345)
free base

>  <CAS> (345)
29745-04-8

>  <URL> (345)
http://www.selleckchem.com/products/norcantharidin.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/08142011082D

 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
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   11.9113    3.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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
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   16.7795    9.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3646   15.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2201   13.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0639   10.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    0.0000    9.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1782   12.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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  2  5  1  0  0  0  0
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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  6  0  0  0
 12  6  1  6  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
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 19 13  1  1  0  0  0
 14 20  2  0  0  0  0
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 24 29  1  0  0  0  0
 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
 28 37  1  0  0  0  0
 29 38  1  6  0  0  0
 32 39  1  0  0  0  0
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 33 41  1  1  0  0  0
 33 39  1  0  0  0  0
 35 42  2  0  0  0  0
 36 43  1  0  0  0  0
 37 44  2  0  0  0  0
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 39 46  1  6  0  0  0
 40 47  1  0  0  0  0
 42 48  1  0  0  0  0
 42 49  1  0  0  0  0
 43 48  2  0  0  0  0
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 45 51  2  0  0  0  0
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 51 53  1  0  0  0  0
 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C35H46O20

>  <MolWeight> (346)
786.72774

>  <Cat> (346)
S3783

>  <Name> (346)
Echinacoside

>  <Synonyms> (346)
N/A

>  <Target> (346)
Others

>  <Form> (346)
free base

>  <CAS> (346)
82854-37-3

>  <URL> (346)
http://www.selleckchem.com/products/echinacoside.html

$$$$
S3784 Obacunone.cdx
csChFnd80/08142011082D

 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
    8.1413    5.5723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1413    2.7532    0.0000 O   0  0  0  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  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  5  1  1  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 30  1  6  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  6  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
  2 31  1  1  0  0  0
 12 32  1  1  0  0  0
 19 33  1  6  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C26H30O7

>  <MolWeight> (347)
454.5122

>  <Cat> (347)
S3784

>  <Name> (347)
Obacunone

>  <Synonyms> (347)
N/A

>  <Target> (347)
Nrf2,Aromatase

>  <Form> (347)
free base

>  <CAS> (347)
751-03-1

>  <URL> (347)
http://www.selleckchem.com/products/obacunone.html

$$$$
S3786 Glabridin.cdx
csChFnd80/08142011082D

 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
    2.6150    3.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    4.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347    0.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.2747    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896    4.8474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6995    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    4.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6995    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    3.4476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9144    7.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1241    6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3392    7.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    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  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  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C20H20O4

>  <MolWeight> (348)
324.3704

>  <Cat> (348)
S3786

>  <Name> (348)
Glabridin

>  <Synonyms> (348)
Q-100692, KB-289522, LS-176045

>  <Target> (348)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (348)
free base

>  <CAS> (348)
59870-68-7

>  <URL> (348)
http://www.selleckchem.com/products/glabridin.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
    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
    6.0622    1.4000    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
    6.0622    4.2000    0.0000 O   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
    7.2746    2.1000    0.0000 C   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
    2.4249    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
    7.2746    3.5000    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
    8.4870    4.2000    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
    8.4870    5.6000    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
    0.0000    3.5000    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    4.2000    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
   12.1244    6.3000    0.0000 O   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
  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 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  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
M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C17H14O5

>  <MolWeight> (349)
298.29006

>  <Cat> (349)
S3918

>  <Name> (349)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (349)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (349)
Others

>  <Form> (349)
free base

>  <CAS> (349)
5128-44-9

>  <URL> (349)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/08142011082D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    7.7006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0642    6.3006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2770    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4891    6.3019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4884    7.7019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7004    8.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    7.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2114   12.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   10.9181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249   10.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   10.9194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497   10.2200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0618   10.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   12.3206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2732   13.0213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6049   12.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4272   13.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6037   14.8546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2724   14.4213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0597   15.1206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8476   14.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   13.0200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6362   12.3194    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2948   16.7403    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7226   18.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3322   18.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7599   19.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3695   19.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973   20.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6718   16.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0868   14.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678   15.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9448   16.1469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8408   15.0742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3598   13.7619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9829   13.5223    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5019   12.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3979   11.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2559   12.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2178   15.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4257   17.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6355   13.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3253    9.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589   16.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181   15.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9946   17.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200   11.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   11.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.6192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   13.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9556   15.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    9.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    4.9000    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
  1  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  1  0  0  0
  5  9  1  6  0  0  0
  6 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 18 19  1  0  0  0  0
 17 18  1  6  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
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 27 39  1  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
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 51 52  1  0  0  0  0
 47 52  1  0  0  0  0
 53 54  1  0  0  0  0
 52 53  1  1  0  0  0
 51 55  1  6  0  0  0
 50 56  1  1  0  0  0
 49 57  1  6  0  0  0
 48 46  1  1  0  0  0
 40 46  1  0  0  0  0
 44 58  1  0  0  0  0
 34 40  1  0  0  0  0
 39 59  1  1  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 36 62  1  1  0  0  0
 25 63  1  1  0  0  0
 28 22  1  6  0  0  0
 13 22  1  0  0  0  0
 14 11  1  1  0  0  0
  2 11  1  0  0  0  0
 35 64  1  1  0  0  0
 40 65  1  1  0  0  0
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 30 69  1  1  0  0  0
 34 70  1  6  0  0  0
 13 71  1  1  0  0  0
  2 72  1  1  0  0  0
M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C48H82O18

>  <MolWeight> (350)
947.15388

>  <Cat> (350)
S3811

>  <Name> (350)
Ginsenoside Re

>  <Synonyms> (350)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (350)
Others

>  <Form> (350)
free base

>  <CAS> (350)
52286-59-6

>  <URL> (350)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/08142011082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    0.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    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  7  2  0  0  0  0
  4  8  2  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
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C10H8O4

>  <MolWeight> (351)
192.16812

>  <Cat> (351)
S3881

>  <Name> (351)
Scopoletin

>  <Synonyms> (351)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (351)
Immunology & Inflammation related

>  <Form> (351)
free base

>  <CAS> (351)
92-61-5

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/08142011082D

 58 65  0  0  0  0  0  0  0  0999 V2000
    9.6984    9.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090   11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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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    2.4161    4.9429    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
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   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
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  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
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
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 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
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 15 23  1  0  0  0  0
 24 17  1  1  0  0  0
 18 25  1  1  0  0  0
 21 26  1  0  0  0  0
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 21 57  1  6  0  0  0
 23 27  1  1  0  0  0
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 24 29  1  0  0  0  0
 30 25  1  1  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  1  0  0  0
 35 42  1  1  0  0  0
 35 40  1  0  0  0  0
 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  0  0  0  0
 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
 46 51  1  0  0  0  0
 46 52  1  0  0  0  0
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 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C41H68O14

>  <MolWeight> (352)
784.97022

>  <Cat> (352)
S3901

>  <Name> (352)
Astragaloside IV

>  <Synonyms> (352)
AST-IV, AS-IV

>  <Target> (352)
Others

>  <Form> (352)
free base

>  <CAS> (352)
84687-43-4

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

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/08142011082D

 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
    8.4683    4.8968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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
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    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
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   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> (353)
353

>  <Formula> (353)
C20H24O11

>  <MolWeight> (353)
440.39796

>  <Cat> (353)
S3781

>  <Name> (353)
Ginkgolide C

>  <Synonyms> (353)
BN-52022

>  <Target> (353)
Others

>  <Form> (353)
free base

>  <CAS> (353)
15291-76-6

>  <URL> (353)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/08142011082D

 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
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 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
  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> (354)
354

>  <Formula> (354)
C7H6O4

>  <MolWeight> (354)
154.12014

>  <Cat> (354)
S3799

>  <Name> (354)
Gentisic acid

>  <Synonyms> (354)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (354)
Immunology & Inflammation related

>  <Form> (354)
free base

>  <CAS> (354)
490-79-9

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

$$$$
S3926 Forsythin.cdx
csChFnd80/08142011082D

 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
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>  <Name> (363)
PD168393

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N/A

>  <Target> (363)
EGFR

>  <Form> (363)
Free Base

>  <CAS> (363)
194423-15-9

>  <URL> (363)
https://www.selleckchem.com/products/pd168393.html

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364

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C19H24ClN9O

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PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (364)
N/A

>  <Target> (364)
Syk

>  <Form> (364)
Hydrochloride

>  <CAS> (364)
1370261-97-4,1370261-96-3(free base)

>  <URL> (364)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

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N/A

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c-Myc

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Free Base

>  <CAS> (365)
403811-55-2

>  <URL> (365)
https://www.selleckchem.com/products/10058-f4.html

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366

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P276-00

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N/A

>  <Target> (366)
CDK

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HCl

>  <CAS> (366)
920113-03-7

>  <URL> (366)
https://www.selleckchem.com/products/p276-00.html

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367

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PP1

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Src

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Free Base

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172889-26-8

>  <URL> (367)
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ALK

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1032900-25-6

>  <URL> (369)
http://www.selleckchem.com/products/ldk378.html

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1231930-82-7

>  <URL> (370)
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M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C18H32ClN3O8P2

>  <MolWeight> (372)
515.862502

>  <Cat> (372)
S4157

>  <Name> (372)
Chloroquine Phosphate

>  <Synonyms> (372)
N/A

>  <Target> (372)
Others

>  <Form> (372)
Diphosphate

>  <CAS> (372)
50-63-5

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

$$$$
CNX-2006.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (373)
373

>  <Formula> (373)
C26H27F4N7O2

>  <MolWeight> (373)
545.5318928

>  <Cat> (373)
S7206

>  <Name> (373)
CNX-2006

>  <Synonyms> (373)
N/A

>  <Target> (373)
EGFR

>  <Form> (373)
Free Base

>  <CAS> (373)
1375465-09-0

>  <URL> (373)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
GZD824.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (374)
374

>  <Formula> (374)
C31H35F3N6O7S2

>  <MolWeight> (374)
724.7708096

>  <Cat> (374)
S7194

>  <Name> (374)
GZD824 Dimesylate 

>  <Synonyms> (374)
N/A

>  <Target> (374)
Bcr-Abl

>  <Form> (374)
Mesylate

>  <CAS> (374)
1421783-64-3

>  <URL> (374)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (375)
375

>  <Formula> (375)
C16H14N4O2S

>  <MolWeight> (375)
326.37296

>  <Cat> (375)
S7195

>  <Name> (375)
RKI-1447

>  <Synonyms> (375)
N/A

>  <Target> (375)
ROCK

>  <Form> (375)
Free Base

>  <CAS> (375)
1342278-01-6

>  <URL> (375)
http://www.selleckchem.com/products/rki-1447.html

$$$$
untitled.cdx
csChFnd80/08142011082D

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1356962-20-3

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http://www.selleckchem.com/products/azd3463.html

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377

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>  <Synonyms> (377)
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>  <Target> (377)
Others

>  <Form> (377)
free base

>  <CAS> (377)
41753-43-9

>  <URL> (377)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
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csChFnd80/08142011082D

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PPAR¦Ã,MAO-A

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free base

>  <CAS> (378)
442-51-3

>  <URL> (378)
http://www.selleckchem.com/products/harmine.html

$$$$
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csChFnd80/08142011082D

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    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    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
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  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
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C8H11NO3

>  <MolWeight> (379)
169.17784

>  <Cat> (379)
S3980

>  <Name> (379)
Pyridoxine

>  <Synonyms> (379)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (379)
Others

>  <Form> (379)
free base

>  <CAS> (379)
65-23-6

>  <URL> (379)
http://www.selleckchem.com/products/pyridoxine.html

$$$$
S4990 TBHQ.cdx
csChFnd80/08142011082D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C10H14O2

>  <MolWeight> (380)
166.21696

>  <Cat> (380)
S4990

>  <Name> (380)
TBHQ

>  <Synonyms> (380)
Tert-butylhydroquinone

>  <Target> (380)
Nrf2

>  <Form> (380)
free base

>  <CAS> (380)
1948-33-0

>  <URL> (380)
http://selleckchem.com/products/tbhq.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/08142011082D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8681    2.1195    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
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 12 17  2  0  0  0  0
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 13 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C18H16O7

>  <MolWeight> (381)
344.31544

>  <Cat> (381)
S4953

>  <Name> (381)
Usnic acid

>  <Synonyms> (381)
Usniacin

>  <Target> (381)
Others

>  <Form> (381)
free base

>  <CAS> (381)
125-46-2

>  <URL> (381)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/08142011082D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
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 29  4  1  0  0  0  0
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 20  5  1  0  0  0  0
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  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
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 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C32H40O8

>  <MolWeight> (382)
552.6552

>  <Cat> (382)
S3832

>  <Name> (382)
Euphorbiasteroid

>  <Synonyms> (382)
Euphorbia factor L1

>  <Target> (382)
Others

>  <Form> (382)
free base

>  <CAS> (382)
28649-59-4

>  <URL> (382)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/08142011082D

 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
    2.4257    6.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 11 12  1  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> (383)
383

>  <Formula> (383)
C10H13N5O

>  <MolWeight> (383)
219.24312

>  <Cat> (383)
S4884

>  <Name> (383)
Trans-Zeatin

>  <Synonyms> (383)
(E)-Zeatin

>  <Target> (383)
Others

>  <CAS> (383)
1637-39-4

>  <URL> (383)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/08142011082D

 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
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M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C9H9N

>  <MolWeight> (384)
131.17446

>  <Cat> (384)
S4959

>  <Name> (384)
Skatole

>  <Synonyms> (384)
3-methylindole, Scatole

>  <Target> (384)
Anti-infection

>  <CAS> (384)
83-34-1

>  <URL> (384)
http://selleckchem.com/products/skatole.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/08142011082D

 68 74  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (385)
385

>  <Formula> (385)
C47H80O18

>  <MolWeight> (385)
933.1273

>  <Cat> (385)
S3785

>  <Name> (385)
Notoginsenoside R1

>  <Synonyms> (385)
Sanchinoside R1

>  <Target> (385)
Others

>  <Form> (385)
free base

>  <CAS> (385)
80418-24-2

>  <URL> (385)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (386)
386

>  <Formula> (386)
C15H8Br2INO2

>  <MolWeight> (386)
520.94199

>  <Cat> (386)
S2872

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GW5074

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N/A

>  <Target> (386)
Raf

>  <Form> (386)
free base

>  <CAS> (386)
220904-83-6

>  <URL> (386)
http://selleckchem.com/products/gw5074.html

$$$$
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>  <Formula> (387)
C29H36O15

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>  <Cat> (387)
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>  <Name> (387)
Methyl-Hesperidin

>  <Form> (387)
free base

>  <CAS> (387)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C19H19ClN6O4S3

>  <MolWeight> (388)
527.03996

>  <Cat> (388)
S1154

>  <Name> (388)
SNS-314 Mesylate

>  <Synonyms> (388)
N/A

>  <Target> (388)
Aurora Kinase

>  <Form> (388)
Mesylate

>  <CAS> (388)
1146618-41-8

>  <URL> (388)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/08142011082D

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    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C21H18O12

>  <MolWeight> (389)
462.36042

>  <Cat> (389)
S3810

>  <Name> (389)
Scutellarin

>  <Synonyms> (389)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (389)
Others

>  <Form> (389)
free base

>  <CAS> (389)
27740-01-8

>  <URL> (389)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C24H25ClFN5O3

>  <MolWeight> (390)
485.9384032

>  <Cat> (390)
S1019

>  <Name> (390)
CI-1033 (Canertinib)

>  <Synonyms> (390)
PD-183805 

>  <Target> (390)
EGFR, HER2

>  <Form> (390)
Free Base

>  <CAS> (390)
267243-28-7

>  <URL> (390)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/08142011082D

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>  <Formula> (391)
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>  <Name> (391)
Tandutinib (MLN518)

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>  <Target> (391)
Flt

>  <Form> (391)
Free Base

>  <CAS> (391)
387867-13-2

>  <URL> (391)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
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>  <Formula> (392)
C22H24BrFN4O2

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>  <Name> (392)
Vandetanib (ZD6474)

>  <Synonyms> (392)
N/A

>  <Target> (392)
VEGFR

>  <Form> (392)
Free Base

>  <CAS> (392)
443913-73-3

>  <URL> (392)
http://www.selleckchem.com/products/Vandetanib.html

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untitled.cdx
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393

>  <Formula> (393)
C21H46NO4P

>  <MolWeight> (393)
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>  <Cat> (393)
S3056

>  <Name> (393)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (393)
N/A

>  <Target> (393)
Akt

>  <Form> (393)
Free Base

>  <CAS> (393)
58066-85-6

>  <URL> (393)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/08142011082D

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NU7026

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N/A

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DNA-PK

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Free Base

>  <CAS> (394)
154447-35-5

>  <URL> (394)
http://www.selleckchem.com/products/nu7026.html

$$$$
Vinpocetine.cdx
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395

>  <Formula> (395)
C22H26N2O2

>  <MolWeight> (395)
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>  <Cat> (395)
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>  <Name> (395)
Vinpocetine (Cavinton)

>  <Synonyms> (395)
N/A

>  <Target> (395)
Sodium Channel

>  <Form> (395)
Free Base

>  <CAS> (395)
42971-09-5

>  <URL> (395)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

$$$$
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csChFnd80/08142011082D

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Free Base

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438190-29-5

>  <URL> (396)
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397

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C18H16N4O3S

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VE-821

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N/A

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ATM/ATR

>  <Form> (397)
Free Base

>  <CAS> (397)
1232410-49-9

>  <URL> (397)
http://www.selleckchem.com/products/ve-821.html

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>  <Target> (398)
PI3K

>  <Form> (398)
Free Base

>  <CAS> (398)
1372540-25-4

>  <URL> (398)
http://www.selleckchem.com/products/gsk2636771.html

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csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C18H16ClN3O2

>  <MolWeight> (399)
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>  <Cat> (399)
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>  <Name> (399)
PQ 401

>  <Synonyms> (399)
N/A

>  <Target> (399)
IGF-1R

>  <Form> (399)
Free Base

>  <CAS> (399)
196868-63-0

>  <URL> (399)
http://www.selleckchem.com/products/pq-401.html

$$$$

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Akt

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1143532-39-1

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>  <Mol_ID> (406)
406

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C22H17ClN6O

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N/A

>  <Target> (406)
PI3K

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1201438-56-3

>  <URL> (406)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (407)
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C13H13N3OS

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S8037

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Necrostatin-1

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N/A

>  <Target> (407)
TNF-alpha

>  <Form> (407)
Free Base

>  <CAS> (407)
4311-88-0

>  <URL> (407)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (408)
408

>  <Formula> (408)
C8H5NO4S

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>  <Cat> (408)
S7024

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Stattic

>  <Synonyms> (408)
N/A

>  <Target> (408)
STAT

>  <Form> (408)
Free Base

>  <CAS> (408)
19983-44-9

>  <URL> (408)
http://www.selleckchem.com/products/stattic.html

$$$$
GW2580.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (409)
409

>  <Formula> (409)
C20H22N4O3

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366.41368

>  <Cat> (409)
S8042

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GW2580

>  <Synonyms> (409)
N/A

>  <Target> (409)
CSF-1R

>  <Form> (409)
Free Base

>  <CAS> (409)
870483-87-7

>  <URL> (409)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C15H12O5

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272.25278

>  <Cat> (410)
S8036

>  <Name> (410)
Butein

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N/A

>  <Target> (410)
EGFR

>  <Form> (410)
Free Base

>  <CAS> (410)
487-52-5

>  <URL> (410)
https://www.selleckchem.com/products/butein.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/08142011082D

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>  <Target> (411)
ATPase

>  <Form> (411)
Free Base

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856925-71-8

>  <URL> (411)
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>  <Synonyms> (412)
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>  <Target> (412)
mTOR

>  <Form> (412)
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>  <CAS> (412)
1207360-89-1

>  <URL> (412)
https://www.selleckchem.com/products/gdc-0349.html

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761439-42-3

>  <URL> (413)
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N/A

>  <Target> (414)
c-Met 

>  <Form> (414)
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>  <CAS> (414)
1022150-57-7

>  <URL> (414)
http://www.selleckchem.com/products/SGX-523.html

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    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2801    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2801    3.5096    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
  1  2  2  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C21H16N6O2S2

>  <MolWeight> (415)
448.52074

>  <Cat> (415)
S1118

>  <Name> (415)
XL147 analogue

>  <Synonyms> (415)
SAR245408

>  <Target> (415)
PI3K 

>  <Form> (415)
Free Base

>  <CAS> (415)
956958-53-5

>  <URL> (415)
http://www.selleckchem.com/products/XL147.html

$$$$
s1023.cdx
csChFnd80/08142011082D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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  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> (416)
416

>  <Formula> (416)
C22H24ClN3O4

>  <MolWeight> (416)
429.89666

>  <Cat> (416)
S1023

>  <Name> (416)
Erlotinib(OSI-744)

>  <Synonyms> (416)
(CP358774, NSC 718781) HCl

>  <Target> (416)
EGFR

>  <Form> (416)
Hydrochloride

>  <CAS> (416)
183319-69-9

>  <URL> (416)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/08142011082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    7.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    8.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2579    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9084    2.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9185    4.0535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1938    1.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2708    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6231    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6130    1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2507    2.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8984    3.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 16  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C16H15BrClN5O4S

>  <MolWeight> (417)
488.7434

>  <Cat> (417)
S1205

>  <Name> (417)
PIK-75 

>  <Synonyms> (417)
N/A

>  <Target> (417)
PI3K, DNA-PK

>  <Form> (417)
Hydrochloride

>  <CAS> (417)
372196-77-5

>  <URL> (417)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/08142011082D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  3  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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    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
   10.9119    2.8000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    3.5000    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
  5  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
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  2  0  0  0  0
 19 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 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C25H52NO4P

>  <MolWeight> (418)
461.658441

>  <Cat> (418)
S1037

>  <Name> (418)
Perifosine (KRX-0401)

>  <Synonyms> (418)
NSC639966

>  <Target> (418)
Akt

>  <Form> (418)
Free Base

>  <CAS> (418)
157716-52-4

>  <URL> (418)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/08142011082D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    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  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  1  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 19  2  0  0  0  0
  9 20  1  0  0  0  0
  8 21  1  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C14H6O8

>  <MolWeight> (419)
302.19264

>  <Cat> (419)
S1327

>  <Name> (419)
Ellagic acid

>  <Synonyms> (419)
N/A

>  <Target> (419)
Topoisomerases

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476-66-4

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PI3K, mTOR

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Free Base

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958852-01-2

>  <URL> (420)
http://www.selleckchem.com/products/GSK1059615.html

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N/A

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p38 MAPK

>  <Form> (421)
Dimesylate

>  <CAS> (421)
862507-23-1

>  <URL> (421)
http://www.selleckchem.com/products/LY2228820.html

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Aurora Kinase

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942947-93-5

>  <URL> (422)
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Syk

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Sodium Salt

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1025687-58-4

>  <URL> (423)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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>  <Target> (424)
p38 MAPK 

>  <Form> (424)
Free Base

>  <CAS> (424)
745833-23-2

>  <URL> (424)
http://www.selleckchem.com/products/VX-702.html

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>  <Formula> (425)
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>  <Target> (425)
mTOR, PI3K

>  <Form> (425)
Free Base

>  <CAS> (425)
1197160-78-3

>  <URL> (425)
http://www.selleckchem.com/products/pki587.html

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NU7441(KU-57788)

>  <Synonyms> (426)
N/A 

>  <Target> (426)
DNA-PK, PI3K

>  <Form> (426)
Free Base

>  <CAS> (426)
503468-95-9 

>  <URL> (426)
http://www.selleckchem.com/products/nu7441.html

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M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C15H18BrN7

>  <MolWeight> (427)
376.25432

>  <Cat> (427)
S2735

>  <Name> (427)
MK-8776 (SCH 900776)

>  <Synonyms> (427)
N/A

>  <Target> (427)
CHK

>  <Form> (427)
Free Base

>  <CAS> (427)
891494-63-6

>  <URL> (427)
http://www.selleckchem.com/products/sch-900776.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C23H14Na2O11

>  <MolWeight> (428)
512.3302

>  <Cat> (428)
S1911

>  <Name> (428)
Disodium Cromoglycate

>  <Synonyms> (428)
Gynazole

>  <Target> (428)
Calcium Channel

>  <Form> (428)
Disodium Salt

>  <CAS> (428)
15826-37-6

>  <URL> (428)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
CCT137690.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C26H31BrN8O

>  <MolWeight> (429)
551.48134

>  <Cat> (429)
S2744

>  <Name> (429)
CCT137690

>  <Synonyms> (429)
N/A

>  <Target> (429)
Aurora Kinase

>  <Form> (429)
Free Base

>  <CAS> (429)
1095382-05-0

>  <URL> (429)
http://www.selleckchem.com/products/cct137690.html

$$$$
PYR 41.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C17H13N3O7

>  <MolWeight> (430)
371.30102

>  <Cat> (430)
S7129

>  <Name> (430)
PYR-41

>  <Synonyms> (430)
N/A

>  <Target> (430)
E1 Activating

>  <Form> (430)
Free Base

>  <CAS> (430)
418805-02-4

>  <URL> (430)
http://www.selleckchem.com/products/pyr-41.html

$$$$
BI-847325.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (431)
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>  <Formula> (431)
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>  <MolWeight> (431)
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BI-847325

>  <Synonyms> (431)
N/A

>  <Target> (431)
MEK

>  <Form> (431)
Free Base

>  <CAS> (431)
1207293-36-4

>  <URL> (431)
http://www.selleckchem.com/products/bi-847325.html

$$$$
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>  <Mol_ID> (432)
432

>  <Formula> (432)
C27H31N7O2

>  <MolWeight> (432)
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>  <Cat> (432)
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>  <Name> (432)
AZ5104

>  <Synonyms> (432)
N/A

>  <Target> (432)
EGFR

>  <Form> (432)
Free Base

>  <CAS> (432)
1421373-98-9

>  <URL> (432)
http://www.selleckchem.com/products/az5104.html

$$$$
LRRK2-IN-1.cdx
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>  <Mol_ID> (433)
433

>  <Formula> (433)
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>  <MolWeight> (433)
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>  <Cat> (433)
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>  <Name> (433)
LRRK2-IN-1

>  <Synonyms> (433)
N/A

>  <Target> (433)
LRRK2

>  <Form> (433)
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>  <CAS> (433)
1234480-84-2

>  <URL> (433)
http://www.selleckchem.com/products/lrrk2-in-1.html

$$$$
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1221713-92-3

>  <URL> (434)
http://www.selleckchem.com/products/nps-1034.html

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435

>  <Formula> (435)
C26H32ClN2O8PS

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KN-93 Phosphate

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N/A

>  <Target> (435)
CaMK

>  <Form> (435)
Free Base

>  <CAS> (435)
1188890-41-6

>  <URL> (435)
http://www.selleckchem.com/products/kn-93-phosphate.html

$$$$
GDC0623.cdx
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436

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C16H14FIN4O3

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MEK

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>  <CAS> (436)
1168091-68-6

>  <URL> (436)
http://www.selleckchem.com/products/gdc-0623.html

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437

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>  <Target> (437)
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>  <Form> (437)
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>  <CAS> (437)
1627494-13-6

>  <URL> (437)
http://www.selleckchem.com/products/azd8186.html

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M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C18H23N5NaO8P

>  <MolWeight> (438)
491.367451

>  <Cat> (438)
S7858

>  <Name> (438)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (438)
dbcAMP

>  <Target> (438)
PKA

>  <Form> (438)
sodium salt

>  <CAS> (438)
16980-89-5

>  <URL> (438)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (439)
439

>  <Formula> (439)
C10H10BrN5NaO6P

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>  <Cat> (439)
S7857

>  <Name> (439)
8-Bromo-cAMP

>  <Synonyms> (439)
N/A

>  <Target> (439)
PKA

>  <Form> (439)
sodium salt

>  <CAS> (439)
76939-46-3

>  <URL> (439)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$
BLU9931.cdx
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>  <Mol_ID> (440)
440

>  <Formula> (440)
C26H22Cl2N4O3

>  <MolWeight> (440)
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>  <Cat> (440)
S7819

>  <Name> (440)
BLU9931

>  <Synonyms> (440)
N/A

>  <Target> (440)
FGFR

>  <Form> (440)
Free Base

>  <CAS> (440)
1538604-68-0

>  <URL> (440)
http://www.selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (441)
441

>  <Formula> (441)
C24H30ClN7O2S

>  <MolWeight> (441)
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>  <Cat> (441)
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>  <Name> (441)
TP-0903

>  <Synonyms> (441)
N/A

>  <Target> (441)
TAM Receptor

>  <Form> (441)
Free Base

>  <CAS> (441)
1341200-45-0

>  <URL> (441)
http://www.selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (442)
442

>  <Formula> (442)
C28H32O6

>  <MolWeight> (442)
464.55008

>  <Cat> (442)
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>  <Name> (442)
FLLL32

>  <Synonyms> (442)
N/A

>  <Target> (442)
JAK

>  <Form> (442)
Free Base

>  <CAS> (442)
1226895-15-3

>  <URL> (442)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/08142011082D

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>  <Mol_ID> (443)
443

>  <Formula> (443)
C26H44NNaO6S

>  <MolWeight> (443)
521.68543

>  <Cat> (443)
S7896

>  <Name> (443)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (443)
N/A

>  <Target> (443)
Antifection

>  <Form> (443)
sodium salt

>  <CAS> (443)
35807-85-3

>  <URL> (443)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/08142011082D

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>  <Mol_ID> (444)
444

>  <Formula> (444)
C24H28N8O2

>  <MolWeight> (444)
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>  <Cat> (444)
S7103

>  <Name> (444)
GDC-0032

>  <Synonyms> (444)
RG7604

>  <Target> (444)
PI3K

>  <Form> (444)
Free Base

>  <CAS> (444)
1282512-48-4

>  <URL> (444)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
ONO-4059.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (445)
445

>  <Formula> (445)
C25H24N6O3

>  <MolWeight> (445)
456.49646

>  <Cat> (445)
S7877

>  <Name> (445)
ONO-4059

>  <Synonyms> (445)
ONO-WG-307

>  <Target> (445)
BTK

>  <Form> (445)
Free Base

>  <CAS> (445)
1351635-67-0

>  <URL> (445)
http://www.selleckchem.com/products/ono-4059.html

$$$$
SBI-0206965.cdx
csChFnd80/08142011082D

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N/A

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Others

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Free Base

>  <CAS> (450)
1449685-96-4

>  <URL> (450)
http://www.selleckchem.com/products/ddr1-in-1.html

$$$$

csChFnd80/08142011082D

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N/A

>  <Target> (451)
VEGFR

>  <Form> (451)
Free Base

>  <CAS> (451)
215543-92-3

>  <URL> (451)
http://www.selleckchem.com/products/su5402.html

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452

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>  <MolWeight> (452)
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UNC-2025

>  <Synonyms> (452)
N/A

>  <Target> (452)
TAM Receptor

>  <Form> (452)
hydrochloride salt

>  <CAS> (452)
1429881-91-3

>  <URL> (452)
http://www.selleckchem.com/products/unc-2025.html

$$$$
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>  <Formula> (453)
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>  <MolWeight> (453)
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>  <Cat> (453)
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>  <Synonyms> (453)
N/A

>  <Target> (453)
Akt

>  <Form> (453)
Free Base

>  <CAS> (453)
1616632-77-9

>  <URL> (453)
http://www.selleck.cn/products/tic-10.html

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667463-85-6

>  <URL> (455)
http://www.selleck.cn/products/bio-acetoxime.html

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1608125-21-8

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1609281-86-8

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    4.3373   10.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   10.3805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    9.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.6261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1732    8.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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 11  2  0  0  0  0
  3 16  1  0  0  0  0
  1 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 17 22  1  0  0  0  0
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 26 17  1  0  0  0  0
 22 27  1  1  0  0  0
 21 28  1  0  0  0  0
M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C20H22ClN7O

>  <MolWeight> (458)
411.88798

>  <Cat> (458)
S8666

>  <Name> (458)
BAY 1895344

>  <Synonyms> (458)
N/A

>  <Target> (458)
ATR

>  <Form> (458)
hydrochloride

>  <CAS> (458)
1876467-74-1(free base)

>  <URL> (458)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S5119 Olivetol.cdx
csChFnd80/08142011082D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0401    3.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616    4.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    4.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    3.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    3.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4749    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    4.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    4.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1802    3.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C11H16O2

>  <MolWeight> (459)
180.24354

>  <Cat> (459)
S5119

>  <Name> (459)
Olivetol

>  <Synonyms> (459)
5-Pentylresorcinol, 5-n-Amylresorcinol

>  <Target> (459)
CB1,CB2,CYP1A1,CYP2C19

>  <Form> (459)
free base

>  <CAS> (459)
500-66-3

>  <URL> (459)
http://www.selleckchem.com/products/olivetol.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/08142011082D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C6H13NO2

>  <MolWeight> (460)
131.17292

>  <Cat> (460)
S3753

>  <Name> (460)
L-Leucine

>  <Synonyms> (460)
(S)-Leucine, Leu

>  <Target> (460)
Others

>  <Form> (460)
free base

>  <CAS> (460)
61-90-5

>  <URL> (460)
http://www.selleckchem.com/products/l-leucine.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/08142011082D

 26 30  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1803    0.2674    0.0000 N   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 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6249    4.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9761    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9129    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2823    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7149    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7781    5.7721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4087    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939    5.3011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8475    6.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4781    6.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325    5.7555    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 10 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 10  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C17H15N9

>  <MolWeight> (461)
345.3613

>  <Cat> (461)
S7674

>  <Name> (461)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (461)
Volitinib

>  <Target> (461)
MET

>  <Form> (461)
free base

>  <CAS> (461)
1313725-88-0

>  <URL> (461)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/08142011082D

 21 19  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4865    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.5124    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
    2.4249    0.5124    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
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6496    1.9007    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  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
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C14H27NaO5S

>  <MolWeight> (462)
330.41595

>  <Cat> (462)
S3801

>  <Name> (462)
Sodium Houttuyfonate

>  <Synonyms> (462)
N/A

>  <Target> (462)
Antifection

>  <Form> (462)
sodium salt

>  <CAS> (462)
1847-58-1

>  <URL> (462)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/08142011082D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4795    2.0870    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
    9.6993    2.7739    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
   10.9042    2.0610    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
   12.1241    2.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1391    4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3289    2.0349    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2821    4.2000    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
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
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 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C18H24O

>  <MolWeight> (463)
256.38256

>  <Cat> (463)
S3813

>  <Name> (463)
Bakuchiol

>  <Synonyms> (463)
(S)-(+)-Bakuchiol

>  <Target> (463)
Immunology & Inflammation related

>  <Form> (463)
free base

>  <CAS> (463)
10309-37-2

>  <URL> (463)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/08142011082D

 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
    6.4229    2.3451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    0.5124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    2.7353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    2.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2986    2.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3123    0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5776    2.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5913    0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C15H11ClN2OS

>  <MolWeight> (464)
302.77864

>  <Cat> (464)
S7176

>  <Name> (464)
SKI II

>  <Synonyms> (464)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (464)
S1P Receptor

>  <Form> (464)
Free Base

>  <CAS> (464)
312636-16-1

>  <URL> (464)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/08142011082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C17H15BrF2N4O3

>  <MolWeight> (465)
441.2268064

>  <Cat> (465)
S7007

>  <Name> (465)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (465)
N/A

>  <Target> (465)
MEK

>  <Form> (465)
Free Base

>  <CAS> (465)
606143-89-9

>  <URL> (465)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C25H34N8O

>  <MolWeight> (466)
462.59046

>  <Cat> (466)
S7087

>  <Name> (466)
GSK2334470

>  <Synonyms> (466)
N/A

>  <Target> (466)
PDK-1

>  <Form> (466)
Free Base

>  <CAS> (466)
1227911-45-6

>  <URL> (466)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/08142011082D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C24H26N4O

>  <MolWeight> (467)
386.48944

>  <Cat> (467)
S7127

>  <Name> (467)
TIC10 analogue

>  <Synonyms> (467)
TRAIL-inducing Compound 10

>  <Target> (467)
Akt

>  <Form> (467)
Free Base

>  <CAS> (467)
41276-02-2

>  <URL> (467)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/08142011082D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C16H10BrN3O2

>  <MolWeight> (468)
356.1735

>  <Cat> (468)
S7198

>  <Name> (468)
BIO

>  <Synonyms> (468)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (468)
GSK-3

>  <Form> (468)
Free Base

>  <CAS> (468)
667463-62-9

>  <URL> (468)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/08142011082D

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RepSox

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TGF-beta/Smad

>  <Form> (469)
Free Base

>  <CAS> (469)
446859-33-2

>  <URL> (469)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
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>  <Mol_ID> (470)
470

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C21H23N7O3S

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AZD2858

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>  <Target> (470)
GSK-3

>  <Form> (470)
Free Base

>  <CAS> (470)
486424-20-8

>  <URL> (470)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (471)
471

>  <Formula> (471)
C23H26ClNO

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>  <Cat> (471)
S8004

>  <Name> (471)
ZM 39923 HCl

>  <Synonyms> (471)
N/A

>  <Target> (471)
JAK

>  <Form> (471)
HCl

>  <CAS> (471)
1021868-92-7

>  <URL> (471)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
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472

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C26H27N5O5S2

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>  <Cat> (472)
S7207

>  <Name> (472)
Ro 31-8220 Mesylate

>  <Synonyms> (472)
Bisindolylmaleimide IX Mesylate

>  <Target> (472)
PKC

>  <Form> (472)
Mesylate

>  <CAS> (472)
138489-18-6

>  <URL> (472)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
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Others

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Free Base

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218156-96-8

>  <URL> (474)
http://www.selleckchem.com/products/srpin340.html

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XL388

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N/A

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mTOR

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Free Base

>  <CAS> (475)
1251156-08-7

>  <URL> (475)
http://www.selleckchem.com/products/xl388.html

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M  END
>  <Mol_ID> (477)
477

>  <Formula> (477)
C24H27Cl2N5O

>  <MolWeight> (477)
472.41008

>  <Cat> (477)
S7306

>  <Name> (477)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (477)
BML-275,Compound C

>  <Target> (477)
AMPK

>  <Form> (477)
Dihydrochloride

>  <CAS> (477)
1219168-18-9

>  <URL> (477)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (478)
478

>  <Formula> (478)
C25H30N6O

>  <MolWeight> (478)
430.5453

>  <Cat> (478)
S7319

>  <Name> (478)
EHop-016

>  <Synonyms> (478)
N/A

>  <Target> (478)
Rac

>  <Form> (478)
Free Base

>  <CAS> (478)
1380432-32-5

>  <URL> (478)
http://www.selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (479)
479

>  <Formula> (479)
C24H21F2NO4

>  <MolWeight> (479)
425.4246464

>  <Cat> (479)
S7214

>  <Name> (479)
Skepinone-L

>  <Synonyms> (479)
N/A

>  <Target> (479)
p38 MAPK

>  <Form> (479)
Free Base

>  <CAS> (479)
1221485-83-1

>  <URL> (479)
http://www.selleckchem.com/products/skepinone-l.html

$$$$
bms-345541.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (480)
480

>  <Formula> (480)
C14H17N5

>  <MolWeight> (480)
255.31828

>  <Cat> (480)
S8044

>  <Name> (480)
bms-345541

>  <Synonyms> (480)
N/A

>  <Target> (480)
I¦ÊB/IKK

>  <Form> (480)
Free Base

>  <CAS> (480)
445430-58-0

>  <URL> (480)
http://www.selleckchem.com/products/bms-345541.html

$$$$
XL019.cdx
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BTK

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Free Base

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1202757-89-8

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http://www.selleckchem.com/products/avl-292.html

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AZ191.cdx
csChFnd80/08142011082D

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AZ191

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N/A

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DYRK

>  <Form> (486)
Free Base

>  <URL> (486)
http://www.selleckchem.com/products/az191.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/08142011082D

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487

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C28H32N4O3

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Pacritinib (SB1518)

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N/A

>  <Target> (487)
JAK

>  <Form> (487)
Free Base

>  <CAS> (487)
937272-79-2

>  <URL> (487)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
csChFnd80/08142011082D

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Raf

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Free Base

>  <CAS> (488)
284461-73-0

>  <URL> (488)
http://www.selleckchem.com/products/sorafenib.html

$$$$
PF-562271.cdx
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489

>  <Formula> (489)
C21H21ClF3N7O3S

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543.9497496

>  <Cat> (489)
S7357

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PF-562271 HCl

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N/A

>  <Target> (489)
FAK

>  <Form> (489)
Hydrochloride

>  <URL> (489)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (490)
490

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C13H15NO2S

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249.3287

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S7320

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TG003

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N/A

>  <Target> (490)
CDK

>  <Form> (490)
Free Base

>  <CAS> (490)
300801-52-9

>  <URL> (490)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (491)
491

>  <Formula> (491)
C25H29ClN6O3

>  <MolWeight> (491)
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WZ4003

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N/A

>  <Target> (491)
AMPK

>  <Form> (491)
Free Base

>  <CAS> (491)
1214265-58-3

>  <URL> (491)
http://www.selleckchem.com/products/wz4003.html

$$$$
ID-8.cdx
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>  <Mol_ID> (492)
492

>  <Formula> (492)
C16H14N2O4

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N/A

>  <Target> (492)
DYRK

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Free Base

>  <CAS> (492)
147591-46-6

>  <URL> (492)
http://www.selleckchem.com/products/id-8.html

$$$$
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Aurora Kinase

>  <Form> (502)
Free Base

>  <CAS> (502)
885325-71-3

>  <URL> (502)
http://www.selleckchem.com/products/mk-8745.html

$$$$
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503

>  <Formula> (503)
C18H12Cl2N4O4S

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4EGI-1

>  <Synonyms> (503)
N/A

>  <Target> (503)
Others

>  <Form> (503)
Free Base

>  <CAS> (503)
315706-13-9

>  <URL> (503)
http://www.selleckchem.com/products/4egi-1.html

$$$$
LEE011-2.cdx
csChFnd80/08142011082D

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504

>  <Formula> (504)
C23H30N8O

>  <MolWeight> (504)
434.5373

>  <Cat> (504)
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Ribociclib (LEE011)

>  <Synonyms> (504)
N/A

>  <Target> (504)
CDK

>  <Form> (504)
Free Base

>  <CAS> (504)
1211441-98-3

>  <URL> (504)
http://www.selleckchem.com/products/lee011.html

$$$$
LM-3230 NH125.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (505)
505

>  <Formula> (505)
C27H45IN2

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>  <Cat> (505)
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>  <Name> (505)
NH125

>  <Synonyms> (505)
N/A

>  <Target> (505)
CaMK

>  <Form> (505)
iodide

>  <CAS> (505)
278603-08-0

>  <URL> (505)
http://www.selleckchem.com/products/nh125.html

$$$$
1164470-53-4.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (506)
506

>  <Formula> (506)
C18H15Cl4N3OS

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>  <Name> (506)
Sal003

>  <Synonyms> (506)
N/A

>  <Target> (506)
phosphatase

>  <Form> (506)
Free Base

>  <CAS> (506)
1164470-53-4

>  <URL> (506)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
csChFnd80/08142011082D

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1062368-62-0

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1225451-84-2

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676596-65-9

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http://www.selleckchem.com/products/isrib-trans-isomer.html

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csChFnd80/08142011082D

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Free Base

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252017-04-2

>  <URL> (512)
http://www.selleckchem.com/products/azd7545.html

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csChFnd80/08142011082D

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>  <Synonyms> (513)
CID 44968231

>  <Target> (513)
CDK

>  <Form> (513)
Free Base

>  <CAS> (513)
1285702-20-6

>  <URL> (513)
http://www.selleckchem.com/products/ml167.html

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>  <Target> (514)
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1062368-49-3

>  <URL> (514)
http://www.selleckchem.com/products/ml347.html

$$$$
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N/A

>  <Target> (515)
Syk

>  <Form> (515)
Free Base

>  <CAS> (515)
1229208-44-9

>  <URL> (515)
http://www.selleckchem.com/products/gs-9973.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/08142011082D

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516

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K-Ras(G12C) inhibitor 6

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N/A

>  <Target> (516)
Rho

>  <Form> (516)
Free Base

>  <CAS> (516)
No

>  <URL> (516)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
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csChFnd80/08142011082D

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517

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DMH1

>  <Synonyms> (517)
N/A

>  <Target> (517)
TGF-beta/Smad

>  <Form> (517)
Free Base

>  <CAS> (517)
1206711-16-1

>  <URL> (517)
http://www.selleckchem.com/products/dmh1.html

$$$$
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518

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LDN-212854

>  <Synonyms> (518)
BMP Inhibitor III

>  <Target> (518)
TGF-beta/Smad

>  <Form> (518)
Free Base

>  <CAS> (518)
1432597-26-6

>  <URL> (518)
http://www.selleckchem.com/products/ldn-212854.html

$$$$
CGP 57380.cdx
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CGP 57380

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MNK

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Free Base

>  <CAS> (519)
522629-08-9

>  <URL> (519)
http://www.selleckchem.com/products/cgp57380.html

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PI3K

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Free Base

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1276110-06-5

>  <URL> (525)
http://www.selleckchem.com/products/hs-173.html

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p38 MAPK

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585543-15-3

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1493764-08-1

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  7 33  2  0  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C27H31NO4S

>  <MolWeight> (528)
465.60434

>  <Cat> (528)
S7177

>  <Name> (528)
PF-543

>  <Synonyms> (528)
N/A

>  <Target> (528)
S1P Receptor

>  <Form> (528)
Free Base

>  <CAS> (528)
1415562-82-1

>  <URL> (528)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C21H21N3O2S

>  <MolWeight> (529)
379.47534

>  <Cat> (529)
S7104

>  <Name> (529)
AZD1208

>  <Synonyms> (529)
N/A

>  <Target> (529)
Pim

>  <Form> (529)
Free Base

>  <CAS> (529)
1204144-28-4

>  <URL> (529)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/08142011082D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C26H25Cl2N3O3

>  <MolWeight> (530)
498.401

>  <Cat> (530)
S7041

>  <Name> (530)
CX-6258 HCl

>  <Synonyms> (530)
N/A

>  <Target> (530)
Pim

>  <Form> (530)
Hydrochloride

>  <CAS> (530)
1353859-00-3

>  <URL> (530)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C25H29Cl2F3N2O4S

>  <MolWeight> (531)
581.4749696

>  <Cat> (531)
S7482

>  <Name> (531)
EHT 1864 2HCl

>  <Synonyms> (531)
N/A

>  <Target> (531)
Rho

>  <Form> (531)
Dihydrochloride

>  <CAS> (531)
754240-09-0

>  <URL> (531)
http://www.selleckchem.com/products/eht-1864.html

$$$$
LDC000067.cdx
csChFnd80/08142011082D

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1073485-20-7

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>  <Mol_ID> (540)
540

>  <Formula> (540)
C21H18Cl2N4OS

>  <MolWeight> (540)
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>  <Cat> (540)
S7269

>  <Name> (540)
PD173955

>  <Synonyms> (540)
N/A 

>  <Target> (540)
Bcr-Abl

>  <Form> (540)
Free Base

>  <CAS> (540)
260415-63-2

>  <URL> (540)
http://www.selleckchem.com/products/pd173955.html

$$$$
Zotarolimus.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (541)
541

>  <Formula> (541)
C52H79N5O12

>  <MolWeight> (541)
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>  <Cat> (541)
S7091

>  <Name> (541)
Zotarolimus (ABT-578)

>  <Synonyms> (541)
N/A

>  <Target> (541)
mTOR

>  <Form> (541)
Free Base

>  <CAS> (541)
221877-54-9

>  <URL> (541)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
WH-4-023.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (542)
542

>  <Formula> (542)
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>  <MolWeight> (542)
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>  <Cat> (542)
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>  <Name> (542)
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>  <Synonyms> (542)
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>  <Target> (542)
Src

>  <Form> (542)
Free Base

>  <CAS> (542)
837422-57-8

>  <URL> (542)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/08142011082D

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PTEN

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345630-40-2

>  <URL> (543)
http://www.selleckchem.com/products/sf1670.html

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>  <URL> (544)
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PLK

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1034616-18-6

>  <URL> (545)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

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>  <URL> (546)
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filgotinib.cdx
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 12  7  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 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> (547)
547

>  <Formula> (547)
C21H23N5O3S

>  <MolWeight> (547)
425.50402

>  <Cat> (547)
S7605

>  <Name> (547)
Filgotinib£¨GLPG0643)

>  <Synonyms> (547)
N/A

>  <Target> (547)
JAK

>  <Form> (547)
Free Base

>  <CAS> (547)
1206161-97-8

>  <URL> (547)
http://www.selleckchem.com/products/filgotinib.html

$$$$
Anacardic Acid.cdx
csChFnd80/08142011082D

 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
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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
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C22H36O3

>  <MolWeight> (548)
348.51944

>  <Cat> (548)
S7582

>  <Name> (548)
Anacardic Acid

>  <Synonyms> (548)
6-pentadecylsalicylic Acid

>  <Target> (548)
Histone Acetyltransferase

>  <Form> (548)
Free Base

>  <CAS> (548)
16611-84-0

>  <URL> (548)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/08142011082D

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    3.6289    2.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2216    2.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.4445    4.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4578    5.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    0.0000    4.7371    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5930    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  2  0  0  0  0
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 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 26  2  0  0  0  0
M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C28H21F4N5O2

>  <MolWeight> (549)
535.4922528

>  <Cat> (549)
S7519

>  <Name> (549)
GNF-5837

>  <Synonyms> (549)
N/A

>  <Target> (549)
Trk receptor

>  <Form> (549)
Free Base

>  <CAS> (549)
1033769-28-6

>  <URL> (549)
http://www.selleckchem.com/products/gnf-5837.html

$$$$
WS6 .cdx
csChFnd80/08142011082D

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    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
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M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C29H31F3N6O3

>  <MolWeight> (550)
568.5900496

>  <Cat> (550)
S7442

>  <Name> (550)
WS6

>  <Synonyms> (550)
N/A

>  <Target> (550)
I¦ÊB/IKK

>  <Form> (550)
Free Base

>  <CAS> (550)
1421227-53-3

>  <URL> (550)
http://www.selleckchem.com/products/ws6.html

$$$$
LY2874455.cdx
csChFnd80/08142011082D

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Free Base

>  <CAS> (552)
1229582-33-5

>  <URL> (552)
http://www.selleckchem.com/products/urmc-099.html

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890842-28-1

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>  <URL> (554)
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I¦ÊB/IKK

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Free Base

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1421227-52-2

>  <URL> (559)
http://www.selleckchem.com/products/ws3.html

$$$$
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JAK

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Hydrochloride

>  <CAS> (560)
1369761-01-2

>  <URL> (560)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
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N/A

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Free Base

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521937-07-5

>  <URL> (561)
http://www.selleckchem.com/products/cid755673.html

$$$$
ML141.cdx
csChFnd80/08142011082D

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Rho

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Free Base

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71203-35-5

>  <URL> (562)
http://www.selleckchem.com/products/ml141.html

$$$$
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M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C22H22O8

>  <MolWeight> (563)
414.40528

>  <Cat> (563)
S7668

>  <Name> (563)
Picropodophyllin (PPP)

>  <Synonyms> (563)
AXL1717

>  <Target> (563)
IGF-1R

>  <Form> (563)
Free Base

>  <CAS> (563)
477-47-4

>  <URL> (563)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Reversine.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C21H27N7O

>  <MolWeight> (564)
393.48538

>  <Cat> (564)
S7588

>  <Name> (564)
Reversine

>  <Synonyms> (564)
N/A

>  <Target> (564)
Adenosine Receptor

>  <Form> (564)
Free Base

>  <CAS> (564)
656820-32-5

>  <URL> (564)
http://www.selleckchem.com/products/reversine.html

$$$$
SU 9516.cdx
csChFnd80/08142011082D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C13H11N3O2

>  <MolWeight> (565)
241.24534

>  <Cat> (565)
S7636

>  <Name> (565)
SU9516

>  <Synonyms> (565)
N/A

>  <Target> (565)
CDK

>  <Form> (565)
Free Base

>  <CAS> (565)
377090-84-1

>  <URL> (565)
http://www.selleckchem.com/products/su9516.html

$$$$
Piperlongumine.cdx
csChFnd80/08142011082D

 23 24  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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M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C17H19NO5

>  <MolWeight> (566)
317.33646

>  <Cat> (566)
S7551

>  <Name> (566)
Piperlongumine

>  <Synonyms> (566)
PPLGM

>  <Target> (566)
ROS,CRM

>  <Form> (566)
Free Base

>  <CAS> (566)
20069-09-4

>  <URL> (566)
http://www.selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C17H16ClN3O

>  <MolWeight> (567)
313.78144

>  <Cat> (567)
S7563

>  <Name> (567)
AT13148

>  <Synonyms> (567)
N/A

>  <Target> (567)
Akt

>  <Form> (567)
Free Base

>  <CAS> (567)
1056901-62-2

>  <URL> (567)
http://www.selleckchem.com/products/at13148.html

$$$$
PF-431396.cdx
csChFnd80/08142011082D

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N/A

>  <Target> (568)
FAK

>  <Form> (568)
Free Base

>  <CAS> (568)
717906-29-1

>  <URL> (568)
http://www.selleckchem.com/products/pf-431396.html

$$$$
PND-1186 (VS-471).cdx
csChFnd80/08142011082D

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>  <Formula> (569)
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SR-2156

>  <Target> (569)
FAK

>  <Form> (569)
Free Base

>  <CAS> (569)
1061353-68-1

>  <URL> (569)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
Defactinib.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (570)
570

>  <Formula> (570)
C20H21F3N8O3S

>  <MolWeight> (570)
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>  <Cat> (570)
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>  <Name> (570)
Defactinib (VS-6063, PF-04554878)

>  <Synonyms> (570)
VS-6063, PF-04554878

>  <Target> (570)
FAK

>  <Form> (570)
Free Base

>  <CAS> (570)
1073154-85-4

>  <URL> (570)
http://www.selleckchem.com/products/defactinib.html

$$$$
GSK2578215A.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (571)
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GSK2578215A

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N/A

>  <Target> (571)
LRRK2

>  <Form> (571)
Free Base

>  <CAS> (571)
1285515-21-0

>  <URL> (571)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/08142011082D

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572

>  <Formula> (572)
C23H21Cl2FN4O3

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S7358

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Poziotinib (HM781-36B)

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NOV120101

>  <Target> (572)
EGFR

>  <Form> (572)
Free Base

>  <CAS> (572)
1092364-38-9

>  <URL> (572)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
LY2584702.cdx
csChFnd80/08142011082D

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C21H19F4N7

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LY2584702

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N/A

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S6 Kinase

>  <Form> (573)
Free Base

>  <CAS> (573)
1082949-67-4

>  <URL> (573)
http://www.selleckchem.com/products/ly2584702.html

$$$$
PI-3065.cdx
csChFnd80/08142011082D

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574

>  <Formula> (574)
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>  <Cat> (574)
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PI-3065

>  <Synonyms> (574)
N/A

>  <Target> (574)
PI3K

>  <Form> (574)
Free Base

>  <CAS> (574)
955977-50-1

>  <URL> (574)
http://www.selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/08142011082D

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1052532-15-6

>  <URL> (575)
http://www.selleckchem.com/products/sbe-13-hcl.html

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Free Base

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188011-69-0

>  <URL> (576)
http://www.selleckchem.com/products/bikinin.html

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Salirasib.cdx
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Rho

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Free Base

>  <CAS> (577)
162520-00-5

>  <URL> (577)
http://www.selleckchem.com/products/salirasib.html

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SD208.cdx
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578

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N/A

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TGF-beta/Smad

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Free Base

>  <CAS> (578)
627536-09-8

>  <URL> (578)
http://www.selleckchem.com/products/sd-208.html

$$$$
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>  <Mol_ID> (580)
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LY2584702 tosylate

>  <Synonyms> (580)
N/A

>  <Target> (580)
S6 Kinase

>  <Form> (580)
Free Base

>  <CAS> (580)
1082949-68-5

>  <URL> (580)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
RN486.cdx
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>  <Mol_ID> (581)
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>  <Formula> (581)
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>  <Cat> (581)
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>  <Name> (581)
RN486

>  <Synonyms> (581)
N/A

>  <Target> (581)
BTK

>  <Form> (581)
Free Base

>  <CAS> (581)
no

>  <URL> (581)
http://www.selleckchem.com/products/rn486.html

$$$$
Dovitinib Lactate.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (582)
582

>  <Formula> (582)
C24H27FN6O4

>  <MolWeight> (582)
482.5073832

>  <Cat> (582)
S7765

>  <Name> (582)
Dovitinib (TKI258) Lactate

>  <Synonyms> (582)
N/A

>  <Target> (582)
FLT3

>  <Form> (582)
Lactate

>  <CAS> (582)
915769-50-5

>  <URL> (582)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
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>  <Mol_ID> (587)
587

>  <Formula> (587)
C22H28ClN7O3S

>  <MolWeight> (587)
506.02082

>  <Cat> (587)
S7782

>  <Name> (587)
Dasatinib Monohydrate

>  <Synonyms> (587)
BMS-354825 Monohydrate

>  <Target> (587)
Src

>  <Form> (587)
Monohydrate

>  <CAS> (587)
863127-77-9

>  <URL> (587)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
LM-3572.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C22H27FN4O2

>  <MolWeight> (588)
398.4737832

>  <Cat> (588)
S7781

>  <Name> (588)
Sunitinib

>  <Synonyms> (588)
SU11248

>  <Target> (588)
PDGFR

>  <Form> (588)
Free Base

>  <CAS> (588)
557795-19-4

>  <URL> (588)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (589)
589

>  <Formula> (589)
C22H23N3O4

>  <MolWeight> (589)
393.43572

>  <Cat> (589)
S7786

>  <Name> (589)
Erlotinib

>  <Synonyms> (589)
CP358774, NSC 718781

>  <Target> (589)
EGFR

>  <Form> (589)
Free Base

>  <CAS> (589)
183321-74-6

>  <URL> (589)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C18H13BrN4O

>  <MolWeight> (590)
381.22602

>  <Cat> (590)
S7557

>  <Name> (590)
CL-387785 (EKI-785)

>  <Synonyms> (590)
N/A

>  <Target> (590)
EGFR

>  <Form> (590)
Free Base

>  <CAS> (590)
194423-06-8

>  <URL> (590)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C24H30ClN7O2

>  <MolWeight> (591)
483.9937

>  <Cat> (591)
S1116

>  <Name> (591)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (591)
N/A

>  <Target> (591)
CDK

>  <Form> (591)
Hydrochloride

>  <CAS> (591)
827022-32-2, 571190-30-2 (free base)

>  <URL> (591)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C26H35N7O6S

>  <MolWeight> (592)
573.6644

>  <Cat> (592)
S1579

>  <Name> (592)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (592)
N/A

>  <Target> (592)
CDK

>  <Form> (592)
Isethionate

>  <CAS> (592)
827022-33-3, 571190-30-2(free base)

>  <URL> (592)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C15H11NO3S2

>  <MolWeight> (593)
317.38274

>  <Cat> (593)
S7771

>  <Name> (593)
STF-083010

>  <Synonyms> (593)
N/A

>  <Target> (593)
Others

>  <Form> (593)
Free Base

>  <CAS> (593)
307543-71-1

>  <URL> (593)
http://www.selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C29H28ClN7OS

>  <MolWeight> (594)
558.09692

>  <Cat> (594)
S7271

>  <Name> (594)
FRAX597

>  <Synonyms> (594)
N/A

>  <Target> (594)
PAK

>  <Form> (594)
Free Base

>  <CAS> (594)
1286739-19-2

>  <URL> (594)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (595)
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N/A

>  <Target> (595)
CDK

>  <Form> (595)
Free Base

>  <CAS> (595)
872573-93-8

>  <URL> (595)
http://www.selleckchem.com/products/ro-3306.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/08142011082D

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596

>  <Formula> (596)
C32H33ClFN5O11

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>  <Cat> (596)
S7810

>  <Name> (596)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (596)
N/A

>  <Target> (596)
EGFR

>  <Form> (596)
Dimaleate

>  <CAS> (596)
850140-73-7

>  <URL> (596)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
LY2409881.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (597)
597

>  <Formula> (597)
C24H32Cl4N6OS

>  <MolWeight> (597)
594.42748

>  <Cat> (597)
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>  <Name> (597)
LY2409881

>  <Synonyms> (597)
N/A

>  <Target> (597)
I¦ÊB/IKK

>  <Form> (597)
Trihydrochloride

>  <CAS> (597)
946518-60-1

>  <URL> (597)
http://www.selleckchem.com/products/ly2409881.html

$$$$
Afuresertib £¨GSK2110183).cdx
csChFnd80/08142011082D

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>  <Mol_ID> (598)
598

>  <Formula> (598)
C18H17Cl2FN4OS

>  <MolWeight> (598)
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>  <Cat> (598)
S7521

>  <Name> (598)
Afuresertib (GSK2110183)

>  <Synonyms> (598)
N/A

>  <Target> (598)
Akt

>  <Form> (598)
Free Base

>  <CAS> (598)
1047644-62-1

>  <URL> (598)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
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M  END
>  <Mol_ID> (599)
599

>  <Formula> (599)
C19H22N6O3S

>  <MolWeight> (599)
414.48138

>  <Cat> (599)
S7798

>  <Name> (599)
GNE-317

>  <Synonyms> (599)
N/A

>  <Target> (599)
PI3K

>  <Form> (599)
Free Base

>  <CAS> (599)
1394076-92-6

>  <URL> (599)
http://www.selleckchem.com/products/gne-317.html

$$$$
LDN-214117.cdx
csChFnd80/08142011082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (600)
600

>  <Formula> (600)
C25H29N3O3

>  <MolWeight> (600)
419.51606

>  <Cat> (600)
S7627

>  <Name> (600)
LDN-214117

>  <Synonyms> (600)
N/A

>  <Target> (600)
TGF-beta/Smad

>  <Form> (600)
Free Base

>  <CAS> (600)
1627503-67-6

>  <URL> (600)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Purvalanol A.cdx
csChFnd80/08142011082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C19H25ClN6O

>  <MolWeight> (601)
388.8944

>  <Cat> (601)
S7793

>  <Name> (601)
Purvalanol A

>  <Synonyms> (601)
N/A

>  <Target> (601)
CDK

>  <Form> (601)
Free Base

>  <CAS> (601)
212844-53-6

>  <URL> (601)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
AZD2932.cdx
csChFnd80/08142011082D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C24H25N5O4

>  <MolWeight> (602)
447.4864

>  <Cat> (602)
S7003

>  <Name> (602)
AZD2932

>  <Synonyms> (602)
N/A

>  <Target> (602)
PDGFR

>  <Form> (602)
Free Base

>  <CAS> (602)
883986-34-3

>  <URL> (602)
http://www.selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/08142011082D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (603)
603

>  <Formula> (603)
C14H19NO4

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mTOR

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Free Base

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326914-06-1

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http://www.selleckchem.com/products/mhy1485.html

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1435488-37-1

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M  END
>  <Mol_ID> (607)
607

>  <Formula> (607)
C23H18N4O3

>  <MolWeight> (607)
398.41402

>  <Cat> (607)
S7642

>  <Name> (607)
D 4476

>  <Synonyms> (607)
N/A

>  <Target> (607)
Others

>  <Form> (607)
Free Base

>  <CAS> (607)
301836-43-1

>  <URL> (607)
http://www.selleckchem.com/products/d-4476.html

$$$$
XL147.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C25H25ClN6O4S

>  <MolWeight> (608)
541.0218

>  <Cat> (608)
S7645

>  <Name> (608)
Pilaralisib (XL147)

>  <Synonyms> (608)
N/A

>  <Target> (608)
PI3K

>  <Form> (608)
Free Base

>  <CAS> (608)
934526-89-3

>  <URL> (608)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
AT7519 HCl.cdx
csChFnd80/08142011082D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C16H18Cl3N5O2

>  <MolWeight> (609)
418.70542

>  <Cat> (609)
S7808

>  <Name> (609)
AT7519 HCl

>  <Synonyms> (609)
N/A

>  <Target> (609)
CDK

>  <Form> (609)
Hydrochloride

>  <CAS> (609)
902135-91-5

>  <URL> (609)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C31H33FN6O3

>  <MolWeight> (610)
556.6305232

>  <Cat> (610)
S7799

>  <Name> (610)
Pexmetinib (ARRY-614)

>  <Synonyms> (610)
N/A

>  <Target> (610)
p38 MAPK

>  <Form> (610)
Free Base

>  <CAS> (610)
945614-12-0

>  <URL> (610)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/08142011082D

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Raf

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Free Base

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1454682-72-4

>  <URL> (611)
http://www.selleckchem.com/products/ly3009120.html

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>  <Target> (612)
AMPK

>  <Form> (612)
Free Base

>  <CAS> (612)
1613724-42-7

>  <URL> (612)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/08142011082D

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613

>  <Formula> (613)
C20H15ClF3N5

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N/A

>  <Target> (613)
CSF-1R

>  <Form> (613)
Free Base

>  <CAS> (613)
1029044-16-3

>  <URL> (613)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/08142011082D

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614

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>  <Name> (614)
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>  <Synonyms> (614)
XL518

>  <Target> (614)
MEK

>  <Form> (614)
Free Base

>  <CAS> (614)
934660-93-2

>  <URL> (614)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
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615

>  <Formula> (615)
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Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (615)
N/A

>  <Target> (615)
ERK

>  <Form> (615)
Free Base

>  <CAS> (615)
869886-67-9

>  <URL> (615)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (616)
616

>  <Formula> (616)
C24H25N5O

>  <MolWeight> (616)
399.4882

>  <Cat> (616)
S7840

>  <Name> (616)
Dorsomorphin (Compound C)

>  <Synonyms> (616)
Compound C, BML-275

>  <Target> (616)
AMPK

>  <Form> (616)
Free Base

>  <CAS> (616)
866405-64-3

>  <URL> (616)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$

csChFnd80/08142011082D

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>  <Mol_ID> (617)
617

>  <Formula> (617)
C26H28N4O3

>  <MolWeight> (617)
444.52552

>  <Cat> (617)
S7921

>  <Name> (617)
DEL-22379

>  <Synonyms> (617)
N/A

>  <Target> (617)
ERK

>  <Form> (617)
Free Base

>  <CAS> (617)
181223-80-3

>  <URL> (617)
http://www.selleckchem.com/products/del-22379.html

$$$$
ASP015K.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (618)
618

>  <Formula> (618)
C18H22N4O2

>  <MolWeight> (618)
326.39288

>  <Cat> (618)
S7650

>  <Name> (618)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (618)
N/A

>  <Target> (618)
JAK

>  <Form> (618)
Free Base

>  <CAS> (618)
944118-01-8

>  <URL> (618)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/08142011082D

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Trk receptor

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1108743-60-7

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Raf

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Free Base

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946128-88-7

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915385-81-8

>  <URL> (621)
http://www.selleckchem.com/products/abc294640.html

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1633044-56-0

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934493-76-2

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431898-65-6

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1627709-94-7

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http://www.selleckchem.com/products/lji308.html

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M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C27H21F3N8O

>  <MolWeight> (631)
530.5038496

>  <Cat> (631)
S8134

>  <Name> (631)
Radotinib

>  <Synonyms> (631)
IY-5511

>  <Target> (631)
Bcr-Abl

>  <Form> (631)
Free Base

>  <CAS> (631)
926037-48-1

>  <URL> (631)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C15H23ClFN3O4S

>  <MolWeight> (632)
395.8772232

>  <Cat> (632)
S7995

>  <Name> (632)
Ripasudil (K-115)

>  <Synonyms> (632)
N/A

>  <Target> (632)
ROCK

>  <Form> (632)
Hydrochloride dihydrate

>  <CAS> (632)
887375-67-9

>  <URL> (632)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C24H26F3N7O2

>  <MolWeight> (633)
501.5041496

>  <Cat> (633)
S8100

>  <Name> (633)
K03861

>  <Synonyms> (633)
N/A

>  <Target> (633)
CDK

>  <Form> (633)
Free Base

>  <CAS> (633)
853299-07-7

>  <URL> (633)
http://www.selleckchem.com/products/k03861.html

$$$$
GNF-7.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (634)
634

>  <Formula> (634)
C28H24F3N7O2

>  <MolWeight> (634)
547.5310696

>  <Cat> (634)
S8140

>  <Name> (634)
GNF-7

>  <Synonyms> (634)
N/A

>  <Target> (634)
Bcr-Abl

>  <Form> (634)
Free Base

>  <CAS> (634)
839706-07-9

>  <URL> (634)
http://www.selleckchem.com/products/gnf-7.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/08142011082D

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1228013-30-6

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640

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Vps34-IN-1

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PI3K

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Free Base

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1383716-33-3

>  <URL> (640)
http://www.selleckchem.com/products/vps34-in1.html

$$$$
Kenpaullone.cdx
csChFnd80/08142011082D

 20 23  0  0  0  0  0  0  0  0999 V2000
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641

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N/A

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CDK

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Free Base

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142273-20-9

>  <URL> (641)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/08142011082D

 31 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (642)
642

>  <Formula> (642)
C19H27N5O6S

>  <MolWeight> (642)
453.51258

>  <Cat> (642)
S8195

>  <Name> (642)
Oclacitinib maleate

>  <Synonyms> (642)
PF-03394197

>  <Target> (642)
JAK

>  <Form> (642)
Free Base

>  <CAS> (642)
1640292-55-2

>  <URL> (642)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/08142011082D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (643)
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Free Base

>  <CAS> (643)
1096708-71-2

>  <URL> (643)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/08142011082D

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1420477-60-6

>  <URL> (644)
http://www.selleckchem.com/products/acalabrutinib.html

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PIK-III

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VPS34-IN2

>  <Target> (645)
Autophagy

>  <Form> (645)
Free Base

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1383716-40-2

>  <URL> (645)
http://www.selleckchem.com/products/pik-iii.html

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Wee1

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Free Base

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185039-89-8

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http://www.selleckchem.com/products/pd0166285.html

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p38 MAPK

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>  <CAS> (647)
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>  <URL> (647)
http://www.selleckchem.com/products/bms-582949.html

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AMPK

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Free Base

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738606-46-7

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http://www.selleckchem.com/products/etc-1002.html

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N/A

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ERK

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Free Base

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839707-37-8

>  <URL> (649)
http://www.selleckchem.com/products/pluripotin-sc1.html

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N/A

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CDK

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2163056-91-3

>  <URL> (650)
http://www.selleck.cn/products/bi-1347.html

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1393465-84-3

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A   35
xHCl
M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C26H36N6O2R

>  <MolWeight> (652)
464.60304

>  <Cat> (652)
S7948

>  <Name> (652)
MRT67307 HCl

>  <Synonyms> (652)
N/A

>  <Target> (652)
I¦ÊB/IKK

>  <Form> (652)
hydrochloride

>  <CAS> (652)
1190378-57-4 (free-base)

>  <URL> (652)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/08142011082D

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A   33
XHCl
M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C25H34N6OR

>  <MolWeight> (653)
434.57706

>  <Cat> (653)
S7949

>  <Name> (653)
MRT68921 HCl

>  <Synonyms> (653)
N/A

>  <Target> (653)
Autophagy

>  <Form> (653)
hydrochloride

>  <CAS> (653)
1190379-70-4 (free base)

>  <URL> (653)
http://www.selleckchem.com/products/mrt68921.html

$$$$
BI-78D3.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C13H9N5O5S2

>  <MolWeight> (654)
379.37106

>  <Cat> (654)
S8201

>  <Name> (654)
BI-78D3

>  <Synonyms> (654)
N/A

>  <Target> (654)
JNK

>  <Form> (654)
Free Base

>  <CAS> (654)
883065-90-5

>  <URL> (654)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
IC261.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C18H17NO4

>  <MolWeight> (655)
311.33188

>  <Cat> (655)
S8237

>  <Name> (655)
IC261

>  <Synonyms> (655)
SU-5607

>  <Target> (655)
Casein Kinase

>  <Form> (655)
Free Base

>  <CAS> (655)
186611-52-9

>  <URL> (655)
http://www.selleckchem.com/products/ic261.html

$$$$
GSK481.cdx
csChFnd80/08142011082D

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1622849-58-4

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http://www.selleckchem.com/products/gsk481.html

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PI3K

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Free Base

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1254036-66-2

>  <URL> (657)
http://www.selleckchem.com/products/gsk2292767.html

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175026-96-7

>  <URL> (659)
http://www.selleckchem.com/products/nqdi-1.html

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>  <Formula> (660)
C15H11ClF3N5O4S

>  <MolWeight> (660)
449.7921496

>  <Cat> (660)
S8303

>  <Name> (660)
Kobe0065

>  <Synonyms> (660)
N/A

>  <Target> (660)
Rho

>  <Form> (660)
Free Base

>  <CAS> (660)
436133-68-5

>  <URL> (660)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/08142011082D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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    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
    8.4870    7.0000    0.0000 N   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
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    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
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    4.4674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4558    6.7326    0.0000 C   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
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   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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
 12 15  1  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
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 23 25  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
 26 29  2  0  0  0  0
  7 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  7  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C26H26N6O2S

>  <MolWeight> (661)
486.58864

>  <Cat> (661)
S8294

>  <Name> (661)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (661)
BI 1482694, HM61713, HM71224

>  <Target> (661)
EGFR

>  <Form> (661)
Free Base

>  <CAS> (661)
1353550-13-6

>  <URL> (661)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
5-Iodotubercidin.cdx
csChFnd80/08142011082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    4.2618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    6.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    8.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0137    1.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1190    2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    1.7463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4444    8.1241    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  1  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 13  1  0  0  0  0
 18 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C11H13IN4O4

>  <MolWeight> (662)
392.14979

>  <Cat> (662)
S8314

>  <Name> (662)
5-Iodotubercidin

>  <Synonyms> (662)
NSC 113939, 5-ITu

>  <Target> (662)
Adenosine Receptor

>  <Form> (662)
Free Base

>  <CAS> (662)
24386-93-4

>  <URL> (662)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/08142011082D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2161    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6854    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    2.1347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1058    1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    3.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3525    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    2.2144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9535    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2022    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3779    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8024    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0592    3.1007    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
  4  8  1  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
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 11  2  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  1  6  0  0  0
 19 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  6  0  0  0
 24 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  0  0  0  0
  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C29H50O2

>  <MolWeight> (663)
430.7061

>  <Cat> (663)
S4686

>  <Name> (663)
Vitamin E

>  <Synonyms> (663)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (663)
COX,VEGFR

>  <Form> (663)
Free Base

>  <CAS> (663)
21590

>  <URL> (663)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/08142011082D

 19 21  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
    4.8497    1.4000    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
    6.0622    3.5000    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
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   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
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    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
  6 11  1  0  0  0  0
  1 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
M  END
>  <Mol_ID> (664)
664

>  <Formula> (664)
C15H10O4

>  <MolWeight> (664)
254.2375

>  <Cat> (664)
S8319

>  <Name> (664)
7,8-Dihydroxyflavone

>  <Synonyms> (664)
7,8-DHF

>  <Target> (664)
Trk receptor

>  <Form> (664)
Free Base

>  <CAS> (664)
38183-03-8

>  <URL> (664)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
MLR-1023.cdx
csChFnd80/08142011082D

 15 16  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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    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  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  2  0  0  0  0
  5  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
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C11H10N2O2

>  <MolWeight> (665)
202.2093

>  <Cat> (665)
S8321

>  <Name> (665)
MLR-1023

>  <Synonyms> (665)
Tolimidone, CP-26154

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Others

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Free Base

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41964-07-2

>  <URL> (665)
http://www.selleckchem.com/products/mlr-1023.html

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666

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C23H26N4O3

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LY3023414

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GTPL8918

>  <Target> (666)
Akt

>  <Form> (666)
Free Base

>  <CAS> (666)
1386874-06-1

>  <URL> (666)
http://www.selleckchem.com/products/ly3023414.html

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Selonsertib (GS-4997).cdx
csChFnd80/08142011082D

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667

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Selonsertib (GS-4997)

>  <Synonyms> (667)
N/A

>  <Target> (667)
Caspase

>  <Form> (667)
Free Base

>  <CAS> (667)
1448428-04-3

>  <URL> (667)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

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>  <Mol_ID> (668)
668

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C28H29ClN4O3

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>  <Name> (668)
LY333531 HCl

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Ruboxistaurin

>  <Target> (668)
PKC

>  <Form> (668)
hydrochloride

>  <CAS> (668)
169939-93-9

>  <URL> (668)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
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>  <Mol_ID> (669)
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N/A

>  <Target> (669)
PAK

>  <Form> (669)
Free Base

>  <CAS> (669)
1232030-35-1

>  <URL> (669)
http://www.selleckchem.com/products/frax486.html

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VO-Ohpic.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (670)
670

>  <Formula> (670)
C12H15N2O11V

>  <MolWeight> (670)
414.1958

>  <Cat> (670)
S8174

>  <Name> (670)
VO-Ohpic trihydrate

>  <Synonyms> (670)
N/A

>  <Target> (670)
Others

>  <Form> (670)
trihydrate

>  <CAS> (670)
476310-60-8

>  <URL> (670)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/08142011082D

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671

>  <Formula> (671)
C19H14FN3O3S

>  <MolWeight> (671)
383.3961632

>  <Cat> (671)
S8242

>  <Name> (671)
EAI045

>  <Synonyms> (671)
N/A

>  <Target> (671)
EGFR

>  <Form> (671)
Free Base

>  <CAS> (671)
1942114-09-1

>  <URL> (671)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/08142011082D

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672

>  <Formula> (672)
C16H16O5

>  <MolWeight> (672)
288.29524

>  <Cat> (672)
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Shikonin

>  <Synonyms> (672)
N/A

>  <Target> (672)
Others

>  <Form> (672)
Free Base

>  <CAS> (672)
517-89-5

>  <URL> (672)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/08142011082D

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673

>  <Formula> (673)
C22H31N9O3

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1620576-64-8

>  <URL> (673)
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$$$$
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csChFnd80/08142011082D

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>  <Mol_ID> (674)
674

>  <Formula> (674)
C18H15N5O6S2

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S8251

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Necrosulfonamide

>  <Synonyms> (674)
N/A

>  <Target> (674)
Others

>  <Form> (674)
Free Base

>  <CAS> (674)
1360614-48-7

>  <URL> (674)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
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>  <Mol_ID> (675)
675

>  <Formula> (675)
C20H20Cl2N6O3

>  <MolWeight> (675)
463.3172

>  <Cat> (675)
S7006

>  <Name> (675)
BAY-61-3606

>  <Synonyms> (675)
N/A

>  <Target> (675)
Syk

>  <Form> (675)
dihydrochloride

>  <CAS> (675)
648903-57-5

>  <URL> (675)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
WNK463.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (676)
676

>  <Formula> (676)
C21H24F3N7O2

>  <MolWeight> (676)
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>  <Cat> (676)
S8358

>  <Name> (676)
WNK463

>  <Synonyms> (676)
N/A

>  <Target> (676)
Others

>  <Form> (676)
Free Base

>  <CAS> (676)
2012607-27-9

>  <URL> (676)
http://www.selleckchem.com/products/wnk463.html

$$$$
LOXO-101.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (677)
677

>  <Formula> (677)
C21H24F2N6O6S

>  <MolWeight> (677)
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>  <Cat> (677)
S7960

>  <Name> (677)
LOXO-101(sulfate)

>  <Synonyms> (677)
N/A

>  <Target> (677)
Trk receptor

>  <Form> (677)
sulfate

>  <CAS> (677)
1223405-08-0

>  <URL> (677)
http://www.selleckchem.com/products/loxo-101.html

$$$$
APS-2-79.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C22H15F3N4O2

>  <MolWeight> (682)
424.3753096

>  <Cat> (682)
S8189

>  <Name> (682)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (682)
N/A

>  <Target> (682)
VEGFR

>  <Form> (682)
Free Base

>  <CAS> (682)
861875-60-7

>  <URL> (682)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C19H20F2N4O4

>  <MolWeight> (683)
406.3833064

>  <Cat> (683)
S8125

>  <Name> (683)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (683)
N/A

>  <Target> (683)
p38 MAPK

>  <Form> (683)
Free Base

>  <CAS> (683)
449811-01-2

>  <URL> (683)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OICR-9429.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C29H32F3N5O3

>  <MolWeight> (684)
555.5912896

>  <Cat> (684)
S7833

>  <Name> (684)
OICR-9429

>  <Synonyms> (684)
N/A

>  <Target> (684)
Histone Methyltransferase

>  <Form> (684)
Free Base

>  <CAS> (684)
1801787-56-3

>  <URL> (684)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (685)
685

>  <Formula> (685)
C23H16F3N3O3

>  <MolWeight> (685)
439.3866496

>  <Cat> (685)
S8188

>  <Name> (685)
BFH772

>  <Synonyms> (685)
BFH 772, BFH-772

>  <Target> (685)
VEGFR

>  <Form> (685)
Free Base

>  <CAS> (685)
890128-81-1

>  <URL> (685)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (686)
686

>  <Formula> (686)
C29H31ClN8O5

>  <MolWeight> (686)
607.06004

>  <Cat> (686)
S7687

>  <Name> (686)
GSK269962 HCl

>  <Synonyms> (686)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (686)
ROCK

>  <Form> (686)
hydrochloride

>  <CAS> (686)
850664-21-0(free base)

>  <URL> (686)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (687)
687

>  <Formula> (687)
C16H14BrNO5S

>  <MolWeight> (687)
412.25506

>  <Cat> (687)
S8228

>  <Name> (687)
NT157

>  <Synonyms> (687)
N/A

>  <Target> (687)
IGF-1R

>  <Form> (687)
Free Base

>  <CAS> (687)
1384426-12-3

>  <URL> (687)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (688)
688

>  <Formula> (688)
C18H25N7O

>  <MolWeight> (688)
355.4374

>  <Cat> (688)
S7286

>  <Name> (688)
RO9021

>  <Synonyms> (688)
N/A

>  <Target> (688)
Syk

>  <Form> (688)
Free Base

>  <CAS> (688)
1446790-62-0

>  <URL> (688)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/08142011082D

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>  <Mol_ID> (689)
689

>  <Formula> (689)
C26H24N8O2

>  <MolWeight> (689)
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>  <Cat> (689)
S8362

>  <Name> (689)
ARRY-380 (ONT-380)

>  <Synonyms> (689)
Tucatinib

>  <Target> (689)
HER2

>  <Form> (689)
Free Base

>  <CAS> (689)
937263-43-9

>  <URL> (689)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/08142011082D

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N/A

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c-Met

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Free Base

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1206799-15-6

>  <URL> (690)
http://www.selleckchem.com/products/ly2801653-merestinib.html

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csChFnd80/08142011082D

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N/A

>  <Target> (691)
PI3K

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Free Base

>  <CAS> (691)
1382979-44-3

>  <URL> (691)
http://www.selleckchem.com/products/gdc-0084.html

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csChFnd80/08142011082D

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N/A

>  <Target> (692)
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hydrochloride

>  <CAS> (692)
110448-33-4

>  <URL> (692)
http://www.selleckchem.com/products/ml-7.html

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1228013-15-7

>  <URL> (693)
http://www.selleckchem.com/products/cc-115.html

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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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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  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
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 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C16H18Cl2N4O

>  <MolWeight> (698)
353.24632

>  <Cat> (698)
S7935

>  <Name> (698)
Y-39983 HCl

>  <Synonyms> (698)
Y-33075 HCl

>  <Target> (698)
ROCK

>  <Form> (698)
dihydrochloride

>  <CAS> (698)
173897-44-4

>  <URL> (698)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/08142011082D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1741    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
  2  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  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (699)
699

>  <Formula> (699)
C21H20N2O3S

>  <MolWeight> (699)
380.4601

>  <Cat> (699)
S8448

>  <Name> (699)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (699)
N/A

>  <Target> (699)
ROCK

>  <Form> (699)
Free Base

>  <CAS> (699)
557782-81-7

>  <URL> (699)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/08142011082D

 24 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
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
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 13  6  1  0  0  0  0
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 13 21  2  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C19H10N2O3

>  <MolWeight> (700)
314.2943

>  <Cat> (700)
S8274

>  <Name> (700)
STO-609

>  <Synonyms> (700)
N/A

>  <Target> (700)
CaMK

>  <Form> (700)
Free Base

>  <CAS> (700)
52029-86-4

>  <URL> (700)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/08142011082D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 10 34  1  6  0  0  0
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 17 36  1  6  0  0  0
 12 37  1  1  0  0  0
M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C24H34F6O3

>  <MolWeight> (701)
484.5153792

>  <Cat> (701)
S7940

>  <Name> (701)
NSC12

>  <Synonyms> (701)
NSC 172285

>  <Target> (701)
FGFR

>  <Form> (701)
Free Base

>  <CAS> (701)
102586-30-1

>  <URL> (701)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (702)
702

>  <Formula> (702)
C31H30Cl3N7O2

>  <MolWeight> (702)
638.9746

>  <Cat> (702)
S7549

>  <Name> (702)
THZ1 2HCl

>  <Synonyms> (702)
N/A

>  <Target> (702)
CDK

>  <Form> (702)
dihydrochloride

>  <CAS> (702)
1604810-83-4(free base)

>  <URL> (702)
http://www.selleckchem.com/products/thz1.html

$$$$
GSK2269557.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (703)
703

>  <Formula> (703)
C26H28N6O

>  <MolWeight> (703)
440.54012

>  <Cat> (703)
S7937

>  <Name> (703)
GSK2269557

>  <Synonyms> (703)
Nemiralisib

>  <Target> (703)
PI3K

>  <Form> (703)
Free Base

>  <CAS> (703)
1254036-71-9

>  <URL> (703)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S4740 Ferulic acid (sodium).cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C10H9NaO4

>  <MolWeight> (704)
216.16583

>  <Cat> (704)
S4740

>  <Name> (704)
Sodium ferulate

>  <Synonyms> (704)
Ferulic acid sodium salt

>  <Target> (704)
Thrombin

>  <Form> (704)
Sodium salt

>  <CAS> (704)
24276-84-4

>  <URL> (704)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

$$$$
S49076.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (705)
705

>  <Formula> (705)
C22H22N4O4S

>  <MolWeight> (705)
438.49948

>  <Cat> (705)
S8404

>  <Name> (705)
S49076

>  <Synonyms> (705)
N/A

>  <Target> (705)
c-Met  & FGFR

>  <Form> (705)
Free Base

>  <CAS> (705)
1265965-22-7

>  <URL> (705)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (706)
706

>  <Formula> (706)
C20H19FN4O2S

>  <MolWeight> (706)
398.4538632

>  <Cat> (706)
S8261

>  <Name> (706)
GSK583

>  <Synonyms> (706)
N/A

>  <Target> (706)
NF-¦ÊB

>  <Form> (706)
Free Base

>  <CAS> (706)
1346547-00-9

>  <URL> (706)
http://www.selleckchem.com/products/gsk583.html

$$$$
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csChFnd80/08142011082D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    3.6331    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.8134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    7.0808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    9.3460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6075    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3075    7.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7075    7.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4075    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7075    9.4258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3075    9.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206    5.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6226    4.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1900    5.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1169    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4438    2.1952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6099   10.6341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    1.8139    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
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  2 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C27H25ClN6

>  <MolWeight> (707)
468.9806

>  <Cat> (707)
S8339

>  <Name> (707)
Miransertib (ARQ 092)HCl

>  <Synonyms> (707)
Miransertib

>  <Target> (707)
Akt

>  <Form> (707)
hydrochloride

>  <CAS> (707)
1313883-00-9

>  <URL> (707)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/08142011082D

 29 32  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
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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 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
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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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    2.4249    9.1000    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
    7.2746    9.1000    0.0000 N   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
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   10.9119    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9995   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  3  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
  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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 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
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C21H25N7O

>  <MolWeight> (708)
391.4695

>  <Cat> (708)
S8456

>  <Name> (708)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (708)
N/A

>  <Target> (708)
PI3K

>  <Form> (708)
Free Base

>  <CAS> (708)
1383716-46-8

>  <URL> (708)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
OTS514.cdx
csChFnd80/08142011082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3306    2.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1843    0.7415    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 13  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 21 26  2  0  0  0  0
M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C21H21ClN2O2S

>  <MolWeight> (709)
400.92164

>  <Cat> (709)
S7652

>  <Name> (709)
OTS514 hydrochloride

>  <Synonyms> (709)
N/A

>  <Target> (709)
TOPK

>  <Form> (709)
hydrochloride

>  <CAS> (709)
1338540-63-8(free base)

>  <URL> (709)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.0956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    3.7956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6838    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1879    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2512    6.2597    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 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  7  1  0  0  0  0
  2 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
 20 22  1  0  0  0  0
  3 23  2  0  0  0  0
  9 24  2  0  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (710)
710

>  <Formula> (710)
C17H20N6O2

>  <MolWeight> (710)
340.3797

>  <Cat> (710)
S8275

>  <Name> (710)
eFT-508 (eFT508)

>  <Synonyms> (710)
N/A

>  <Target> (710)
MNK

>  <Form> (710)
Free Base

>  <CAS> (710)
1849590-01-7

>  <URL> (710)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/08142011082D

 26 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    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
    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 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
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    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
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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UK-371804 HCl

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UK-371804 HCl

>  <Target> (711)
Serine Protease

>  <Form> (711)
hydrochloride

>  <CAS> (711)
256476-36-5

>  <URL> (711)
http://www.selleckchem.com/products/uk-371804-hcl.html

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CCT196969

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N/A

>  <Target> (712)
Raf

>  <Form> (712)
Free Base

>  <CAS> (712)
1163719-56-9

>  <URL> (712)
http://www.selleckchem.com/products/cct196969.html

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N/A

>  <Target> (713)
CDK

>  <Form> (713)
Free Base

>  <CAS> (713)
1619903-54-6

>  <URL> (713)
http://www.selleckchem.com/products/ly2857785.html

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>  <Mol_ID> (714)
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>  <Formula> (714)
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>  <Cat> (714)
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>  <Synonyms> (714)
N/A

>  <Target> (714)
FLT3

>  <Form> (714)
Free Base

>  <CAS> (714)
1370256-78-2

>  <URL> (714)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

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Kinesin

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Free Base

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1554458-53-5

>  <URL> (715)
http://www.selleckchem.com/products/bay-1217389.html

$$$$
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>  <Mol_ID> (716)
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N/A

>  <Target> (716)
EGFR

>  <Form> (716)
Free Base

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1448232-80-1

>  <URL> (716)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/08142011082D

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717

>  <Formula> (717)
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>  <Synonyms> (717)
N/A

>  <Target> (717)
CDK

>  <Form> (717)
Free Base

>  <CAS> (717)
1453834-21-3

>  <URL> (717)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
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M  END
>  <Mol_ID> (718)
718

>  <Formula> (718)
C25H23ClN6O3

>  <MolWeight> (718)
490.94152

>  <Cat> (718)
S8166

>  <Name> (718)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (718)
N/A

>  <Target> (718)
BTK

>  <Form> (718)
hydrochloride

>  <CAS> (718)
1439901-97-9

>  <URL> (718)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (719)
719

>  <Formula> (719)
C19H15N3O2

>  <MolWeight> (719)
317.3413

>  <Cat> (719)
S7954

>  <Name> (719)
CP21R7 (CP21)

>  <Synonyms> (719)
N/A

>  <Target> (719)
Wnt/beta-catenin

>  <Form> (719)
Free Base

>  <CAS> (719)
125314-13-8

>  <URL> (719)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (720)
720

>  <Formula> (720)
C15H18O2

>  <MolWeight> (720)
230.30222

>  <Cat> (720)
S8291

>  <Name> (720)
Atractylenolide I

>  <Synonyms> (720)
N/A

>  <Target> (720)
Immunology & Inflammation related

>  <Form> (720)
Free Base

>  <CAS> (720)
73069-13-3
73069-13-3

>  <URL> (720)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/08142011082D

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A   23
xH2O
M  END
>  <Mol_ID> (721)
721

>  <Formula> (721)
C14H18ClN3O3RS

>  <MolWeight> (721)
343.82902

>  <Cat> (721)
S8208

>  <Name> (721)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (721)
N/A

>  <Target> (721)
ROCK

>  <Form> (721)
hydrochloride

>  <CAS> (721)
155558-32-0 (HCl salt)

>  <URL> (721)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/08142011082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (722)
722

>  <Formula> (722)
C21H18F3N5O

>  <MolWeight> (722)
413.3957296

>  <Cat> (722)
S2931

>  <Name> (722)
Aurora Kinase Inhibitor III

>  <Synonyms> (722)
N/A

>  <Target> (722)
Aurora Kinase

>  <Form> (722)
Free Base

>  <CAS> (722)
879127-16-9

>  <URL> (722)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
SUN11602.cdx
csChFnd80/08142011082D

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http://www.selleckchem.com/products/sun11602.html

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1532533-67-7

>  <URL> (724)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/08142011082D

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>  <Cat> (725)
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>  <Name> (725)
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>  <Synonyms> (725)
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EGFR

>  <Form> (725)
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1508250-71-2

>  <URL> (725)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
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M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C23H26Cl2N2O2S

>  <MolWeight> (726)
465.43574

>  <Cat> (726)
S7648

>  <Name> (726)
OTS964

>  <Synonyms> (726)
N/A

>  <Target> (726)
Others

>  <Form> (726)
dihydrochloride

>  <CAS> (726)
1338545-07-5(HCl salt)

>  <URL> (726)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (727)
727

>  <Formula> (727)
C21H24ClF3N6O2

>  <MolWeight> (727)
484.9024696

>  <Cat> (727)
S8490

>  <Name> (727)
Tanzisertib(CC-930)

>  <Synonyms> (727)
JNK-930|JNKI-1

>  <Target> (727)
JNK

>  <Form> (727)
hydrochloride

>  <CAS> (727)
899805-25-5 (free base)

>  <URL> (727)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C20H24N6O3

>  <MolWeight> (728)
396.44296

>  <Cat> (728)
S8493

>  <Name> (728)
PD-166866

>  <Synonyms> (728)
N/A

>  <Target> (728)
FGFR

>  <Form> (728)
Free Base

>  <CAS> (728)
192705-79-6

>  <URL> (728)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C24H24Cl2N4O4

>  <MolWeight> (729)
503.37776

>  <Cat> (729)
S8503

>  <Name> (729)
BLU-554

>  <Synonyms> (729)
N/A

>  <Target> (729)
FGFR

>  <Form> (729)
Free Base

>  <CAS> (729)
1707289-21-1

>  <URL> (729)
http://www.selleckchem.com/products/blu-554.html

$$$$
GSK180736A.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (730)
730

>  <Formula> (730)
C19H16FN5O2

>  <MolWeight> (730)
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>  <Cat> (730)
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>  <Name> (730)
GSK180736A

>  <Synonyms> (730)
N/A

>  <Target> (730)
ROCK

>  <Form> (730)
Free Base

>  <CAS> (730)
817194-38-0

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>  <URL> (736)
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free base

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1437321-24-8

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>  <Target> (739)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (739)
free base

>  <CAS> (739)
1282514-88-8

>  <URL> (739)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

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MSC2530818.cdx
csChFnd80/08142011082D

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N/A

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CDK8

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free base

>  <CAS> (740)
1883423-59-3

>  <URL> (740)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/08142011082D

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free base

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1123837-84-2

>  <URL> (741)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

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>  <Formula> (742)
C18H17NO5

>  <MolWeight> (742)
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>  <Cat> (742)
S8317

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3BDO

>  <Synonyms> (742)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (742)
FKBP1A

>  <Form> (742)
free base

>  <CAS> (742)
890405-51-3

>  <URL> (742)
http://www.selleckchem.com/products/3bdo.html

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>  <Formula> (743)
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>  <Name> (743)
TPX-0005

>  <Synonyms> (743)
N/A

>  <Target> (743)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (743)
free base

>  <CAS> (743)
no

>  <URL> (743)
http://www.selleckchem.com/products/tpx-0005.html

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csChFnd80/08142011082D

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>  <Mol_ID> (744)
744

>  <Formula> (744)
C20H19N5O3

>  <MolWeight> (744)
377.39656

>  <Cat> (744)
S8484

>  <Name> (744)
GSK2982772

>  <Synonyms> (744)
N/A

>  <Target> (744)
human RIP1

>  <Form> (744)
free base

>  <CAS> (744)
1622848-92-3

>  <URL> (744)
http://www.selleckchem.com/products/gsk2982772.html

$$$$
Amcasertib (BBI503).cdx
csChFnd80/08142011082D

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>  <Formula> (745)
C31H33N5O2S

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>  <Cat> (745)
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>  <Name> (745)
Amcasertib (BBI503)

>  <Synonyms> (745)
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>  <Target> (745)
Nanog

>  <Form> (745)
free base

>  <CAS> (745)
1129403-56-0

>  <URL> (745)
http://www.selleckchem.com/products/amcasertib-bbi503.html

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DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

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free base

>  <CAS> (746)
1174428-47-7

>  <URL> (746)
http://www.selleckchem.com/products/sf2523.html

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IPI-549.cdx
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N/A

>  <Target> (747)
PI3K¦Ã

>  <CAS> (747)
1693758-51-8

>  <URL> (747)
http://www.selleckchem.com/products/ipi-549.html

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TAK-659.cdx
csChFnd80/08142011082D

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N/A

>  <Target> (748)
Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (748)
hydrochloride 

>  <CAS> (748)
1952251-28-3

>  <URL> (748)
http://www.selleckchem.com/products/tak-659.html

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csChFnd80/08142011082D

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>  <Synonyms> (749)
N/A

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TrkC,TrkB,TrkA

>  <Form> (749)
free base

>  <CAS> (749)
1402438-74-7

>  <URL> (749)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
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>  <Cat> (750)
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GSK'872 (GSK2399872A)

>  <Synonyms> (750)
N/A

>  <Target> (750)
RIP3K

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Free base

>  <CAS> (750)
1346546-69-7

>  <URL> (750)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/08142011082D

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   10.7221    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> (751)
751

>  <Formula> (751)
C19H17N5O3

>  <MolWeight> (751)
363.36998

>  <Cat> (751)
S8581

>  <Name> (751)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (751)
N/A

>  <Target> (751)
PI3K¦Á 

>  <Form> (751)
Free base

>  <CAS> (751)
1268454-23-4

>  <URL> (751)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/08142011082D

  7  6  0  0  0  0  0  0  0  0999 V2000
    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
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    3.6373    1.4000    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 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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  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (752)
752

>  <Formula> (752)
C2HCl2NaO2

>  <MolWeight> (752)
150.92391

>  <Cat> (752)
S8615

>  <Name> (752)
Sodium dichloroacetate (DCA)

>  <Synonyms> (752)
bichloroacetic acid, BCA

>  <Target> (752)
PDK

>  <Form> (752)
sodium salt

>  <CAS> (752)
2156-56-1

>  <URL> (752)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/08142011082D

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 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 31  9  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
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M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C33H44FN5O3

>  <MolWeight> (753)
577.7325632

>  <Cat> (753)
S8511

>  <Name> (753)
Belizatinib (TSR-011)

>  <Synonyms> (753)
N/A

>  <Target> (753)
ALK,TRK

>  <Form> (753)
free base

>  <CAS> (753)
1357920-84-3

>  <URL> (753)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3451    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C14H11ClN6O3

>  <MolWeight> (754)
346.72854

>  <Cat> (754)
S8596

>  <Name> (754)
Autophinib

>  <Synonyms> (754)
N/A

>  <Target> (754)
autophagy

>  <Form> (754)
free base

>  <CAS> (754)
1644443-47-9

>  <URL> (754)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/08142011082D

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1802929-43-6

>  <URL> (755)
http://www.selleckchem.com/products/prn1371.html

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>  <Target> (756)
LRRK2

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1191911-26-8

>  <URL> (756)
http://www.selleck.cn/products/czc-25146.html

$$$$
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FLT3,Axl 

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free base

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1254053-43-4

>  <URL> (757)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

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PHGDH

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1916571-90-8

>  <URL> (758)
http://www.selleckchem.com/products/nct-503.html

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M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C15H17ClN2OS

>  <MolWeight> (759)
308.82628

>  <Cat> (759)
S8304

>  <Name> (759)
Azoramide

>  <Synonyms> (759)
N/A

>  <Target> (759)
UPR

>  <Form> (759)
free base

>  <CAS> (759)
932986-18-0

>  <URL> (759)
http://www.selleckchem.com/products/azoramide.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C20H14ClN3O2

>  <MolWeight> (760)
363.79706

>  <Cat> (760)
S8632

>  <Name> (760)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (760)
N/A

>  <Target> (760)
Chk2

>  <Form> (760)
free base

>  <CAS> (760)
516480-79-8

>  <URL> (760)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (761)
761

>  <Formula> (761)
C22H27N7O2S

>  <MolWeight> (761)
453.56048

>  <Cat> (761)
S8534

>  <Name> (761)
LY3214996

>  <Synonyms> (761)
N/A

>  <Target> (761)
ERK1,ERK2

>  <Form> (761)
free base

>  <CAS> (761)
1951483-29-6

>  <URL> (761)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C19H16ClNO3

>  <MolWeight> (762)
341.78824

>  <Cat> (762)
S8335

>  <Name> (762)
PF-06409577

>  <Synonyms> (762)
N/A

>  <Target> (762)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (762)
free base

>  <CAS> (762)
1467057-23-3

>  <URL> (762)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C18H19NO2S2

>  <MolWeight> (763)
345.47896

>  <Cat> (763)
S8616

>  <Name> (763)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (763)
N/A

>  <Target> (763)
PKM2

>  <Form> (763)
free base

>  <CAS> (763)
94164-88-2

>  <URL> (763)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/08142011082D

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1093119-54-0

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Lupeol

>  <Synonyms> (767)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (767)
Others

>  <Form> (767)
free base

>  <CAS> (767)
545-47-1

>  <URL> (767)
http://www.selleckchem.com/products/lupeol.html

$$$$
H3B-6527.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (768)
768

>  <Formula> (768)
C29H34Cl2N8O4

>  <MolWeight> (768)
629.53746

>  <Cat> (768)
S8675

>  <Name> (768)
H3B-6527

>  <Synonyms> (768)
N/A

>  <Target> (768)
FGFR4

>  <Form> (768)
free base

>  <CAS> (768)
1702259-66-2

>  <URL> (768)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C18H18N4O2

>  <MolWeight> (769)
322.36112

>  <Cat> (769)
S8663

>  <Name> (769)
Takinib

>  <Synonyms> (769)
EDHS-206

>  <Target> (769)
TAK1,IRAK4,IRAK1

>  <Form> (769)
free base

>  <CAS> (769)
1111556-37-6

>  <URL> (769)
http://www.selleckchem.com/products/takinib.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C6H6Na3O9P

>  <MolWeight> (770)
322.049511

>  <Cat> (770)
S5115

>  <Name> (770)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (770)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (770)
Others

>  <Form> (770)
sodium salt

>  <CAS> (770)
66170-10-3

>  <URL> (770)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C15H19N5O

>  <MolWeight> (771)
285.34426

>  <Cat> (771)
S8538

>  <Name> (771)
PF-06651600

>  <Synonyms> (771)
N/A

>  <Target> (771)
JAK3 

>  <Form> (771)
free base

>  <CAS> (771)
1792180-81-4

>  <URL> (771)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/08142011082D

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 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
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 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> (772)
772

>  <Formula> (772)
C15H10O5

>  <MolWeight> (772)
270.2369

>  <Cat> (772)
S8696

>  <Name> (772)
2-D08
2-D08

>  <Synonyms> (772)
2',3',4'-trihydroxy flavone

>  <Target> (772)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (772)
free base

>  <CAS> (772)
144707-18-6

>  <URL> (772)
http://selleckchem.com/products/2-d08.html

$$$$
S5045 Nomilin.cdx
csChFnd80/08142011082D

 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
    5.7113    4.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5763    4.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.1413    7.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5765    4.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    3.6319    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7113    5.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1851    1.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    7.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5765    5.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4073    4.5020    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7147    5.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2727    8.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5085    8.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7329    5.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0953    9.9263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    6.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0428    8.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    2.9173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9967    0.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3972    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0449    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  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
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  4  5  1  1  0  0  0
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  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  1  6  0  0  0
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 10 14  1  0  0  0  0
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 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  1  0  0  0
 15 20  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 20 25  1  0  0  0  0
 20 37  1  6  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 23 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C28H34O9

>  <MolWeight> (773)
514.56416

>  <Cat> (773)
S5045

>  <Name> (773)
Nomilin

>  <Synonyms> (773)
N/A

>  <Target> (773)
Others

>  <Form> (773)
free base

>  <CAS> (773)
1063-77-0

>  <URL> (773)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/08142011082D

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.2330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.6455    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    1.2206    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0132    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  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
 11 16  2  0  0  0  0
 10 11  1  0  0  0  0
 13 17  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 22 27  2  0  0  0  0
 28 29  1  0  0  0  0
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 25 32  1  0  0  0  0
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  3 10  1  0  0  0  0
  9 33  1  0  0  0  0
M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C21H17ClF4N4O4

>  <MolWeight> (774)
500.8306928

>  <Cat> (774)
S5077

>  <Name> (774)
Regorafenib Monohydrate

>  <Synonyms> (774)
N/A

>  <Target> (774)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (774)
monohydrate

>  <CAS> (774)
1019206-88-2

>  <URL> (774)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/08142011082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2735    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627    3.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6064    3.5971    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0605    1.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4284    2.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0402    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.8685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    1.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 10  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C10H12N4O3

>  <MolWeight> (775)
236.22728

>  <Cat> (775)
S5084

>  <Name> (775)
Carbazochrome

>  <Synonyms> (775)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (775)
Others

>  <Form> (775)
free base

>  <CAS> (775)
69-81-8

>  <URL> (775)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/08142011082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    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 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    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
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 14 16  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C19H11Cl2I2NO3

>  <MolWeight> (776)
626.01048

>  <Cat> (776)
S5093

>  <Name> (776)
Rafoxanide

>  <Synonyms> (776)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (776)
Anti-infection

>  <Form> (776)
free base

>  <CAS> (776)
22662-39-1

>  <URL> (776)
http://selleckchem.com/products/rafoxanide.html

$$$$
BGB-3111.cdx
csChFnd80/08142011082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (777)
777

>  <Formula> (777)
C24H25N5O3

>  <MolWeight> (777)
431.487

>  <Cat> (777)
S8542

>  <Name> (777)
Btk inhibitor 2

>  <Synonyms> (777)
N/A

>  <Target> (777)
BTK

>  <Form> (777)
free base

>  <CAS> (777)
1558036-85-3

>  <URL> (777)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (778)
778

>  <Formula> (778)
C28H25F3N6O

>  <MolWeight> (778)
518.5329096

>  <Cat> (778)
S8658

>  <Name> (778)
kira6

>  <Synonyms> (778)
N/A

>  <Target> (778)
Others

>  <CAS> (778)
1589527-65-0

>  <URL> (778)
http://selleckchem.com/products/kira6.html

$$$$
SNS-314.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (779)
779

>  <Formula> (779)
C18H15ClN6OS2

>  <MolWeight> (779)
430.9343

>  <Cat> (779)
S8699

>  <Name> (779)
SNS-314 Mesylate

>  <Synonyms> (779)
N/A

>  <Target> (779)
Aurora Kinase

>  <CAS> (779)
1057249-41-8

>  <URL> (779)
http://selleckchem.com/products/sns-314.html

$$$$
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csChFnd80/08142011082D

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>  <Mol_ID> (780)
780

>  <Formula> (780)
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>  <MolWeight> (780)
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>  <Synonyms> (780)
N/A

>  <Target> (780)
BTK,Trk receptor,c-RET

>  <Form> (780)
free base

>  <CAS> (780)
1231889-53-4

>  <URL> (780)
http://selleckchem.com/products/bms-935177.html

$$$$
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csChFnd80/08142011082D

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781

>  <Formula> (781)
C35H29F3N4O3

>  <MolWeight> (781)
610.6249696

>  <Cat> (781)
S8444

>  <Name> (781)
KPT-9274

>  <Synonyms> (781)
N/A

>  <Target> (781)
NAMPT,PAK

>  <Form> (781)
free base

>  <CAS> (781)
1643913-93-2

>  <URL> (781)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/08142011082D

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782

>  <Formula> (782)
C20H18ClF2N5O3

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449.8384264

>  <Cat> (782)
S8555

>  <Name> (782)
Asciminib (ABL001)

>  <Synonyms> (782)
N/A

>  <Target> (782)
Bcr-Abl

>  <Form> (782)
free base

>  <CAS> (782)
1492952-76-7

>  <URL> (782)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/08142011082D

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783

>  <Formula> (783)
C23H18FN5O2

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>  <Target> (783)
PI3K

>  <Form> (783)
free base

>  <CAS> (783)
1639417-53-0

>  <URL> (783)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
AS1517499.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (784)
784

>  <Formula> (784)
C20H20ClN5O2

>  <MolWeight> (784)
397.8581

>  <Cat> (784)
S8685

>  <Name> (784)
AS1517499

>  <Synonyms> (784)
N/A

>  <Target> (784)
STAT

>  <Form> (784)
free base

>  <CAS> (784)
919486-40-1

>  <URL> (784)
http://selleckchem.com/products/as1517499.html

$$$$
RAF709.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (785)
785

>  <Formula> (785)
C28H29F3N4O4

>  <MolWeight> (785)
542.5494696

>  <Cat> (785)
S8690

>  <Name> (785)
RAF709

>  <Synonyms> (785)
N/A

>  <Target> (785)
Raf

>  <Form> (785)
free base

>  <CAS> (785)
1628838-42-5

>  <URL> (785)
http://selleckchem.com/products/raf709.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/08142011082D

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    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9761    4.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  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> (786)
786

>  <Formula> (786)
C13H18N2O6

>  <MolWeight> (786)
298.29182

>  <Cat> (786)
S5060

>  <Name> (786)
 Metadoxine

>  <Synonyms> (786)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (786)
Others

>  <Form> (786)
salt

>  <CAS> (786)
74536-44-0

>  <URL> (786)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/08142011082D

 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
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    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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 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (787)
787

>  <Formula> (787)
C10H16N5O8P

>  <MolWeight> (787)
365.236501

>  <Cat> (787)
S5284

>  <Name> (787)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (787)
5'-Adenylic acid, 5'-AMP

>  <Target> (787)
AMPK

>  <Form> (787)
hydrate 

>  <CAS> (787)
18422-05-4

>  <URL> (787)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/08142011082D

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    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
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M  END
>  <Mol_ID> (788)
788

>  <Formula> (788)
C6H14Cl4N4

>  <MolWeight> (788)
284.01416

>  <Cat> (788)
S5321

>  <Name> (788)
Y15

>  <Synonyms> (788)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (788)
FAK

>  <Form> (788)
tetrahydrochloride 

>  <CAS> (788)
4506-66-5

>  <URL> (788)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/08142011082D

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C18H16N2O

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SC66

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>  <Target> (789)
Akt

>  <Form> (789)
free base

>  <CAS> (789)
871361-88-5

>  <URL> (789)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (790)
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>  <Formula> (790)
C12H17N5O

>  <MolWeight> (790)
247.29628

>  <Cat> (790)
S5316

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NU2058

>  <Synonyms> (790)
O(6)-Cyclohexylmethylguanine

>  <Target> (790)
CDK

>  <Form> (790)
free base

>  <CAS> (790)
161058-83-9

>  <URL> (790)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (791)
791

>  <Formula> (791)
C27H32FN5O2

>  <MolWeight> (791)
477.5736832

>  <Cat> (791)
S8680

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AZD1390

>  <Synonyms> (791)
N/A

>  <Target> (791)
ATM/ATR

>  <Form> (791)
free base

>  <CAS> (791)
2089288-03-7

>  <URL> (791)
http://selleckchem.com/products/azd1390.html

$$$$
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csChFnd80/08142011082D

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792

>  <Formula> (792)
C22H25Cl2FN4O3

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>  <Cat> (792)
S5098

>  <Name> (792)
Gefitinib hydrochloride

>  <Synonyms> (792)
ZD1839 hydrochloride

>  <Target> (792)
EGFR

>  <Form> (792)
hydrochloride 

>  <CAS> (792)
184475-55-6

>  <URL> (792)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/08142011082D

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GSK'963

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N/A

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NF-¦ÊB,TNF-alpha

>  <Form> (793)
free base

>  <CAS> (793)
2049868-46-2

>  <URL> (793)
http://selleckchem.com/products/gsk963.html

$$$$
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csChFnd80/08142011082D

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M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C6H4K2NO8V

>  <MolWeight> (794)
347.23596

>  <Cat> (794)
S8651

>  <Name> (794)
bpV (HOpic)

>  <Synonyms> (794)
Bisperoxovanadium(HOpic)

>  <Target> (794)
PTEN

>  <Form> (794)
potassium 

>  <CAS> (794)
722494-26-0

>  <URL> (794)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/08142011082D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C23H24Cl2FN3O3

>  <MolWeight> (795)
480.3593632

>  <Cat> (795)
S8726

>  <Name> (795)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (795)
N/A

>  <Target> (795)
VEGFR

>  <Form> (795)
dihydrochloride 

>  <CAS> (795)
1360460-82-7

>  <URL> (795)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C26H21F2N5O3

>  <MolWeight> (796)
489.4734464

>  <Cat> (796)
S8721

>  <Name> (796)
DCC-2618

>  <Synonyms> (796)
N/A

>  <Target> (796)
c-Kit

>  <CAS> (796)
 1225278-16-9

>  <URL> (796)
http://selleckchem.com/products/dcc-2618.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C21H28O2

>  <MolWeight> (797)
312.44582

>  <Cat> (797)
S3792

>  <Name> (797)
Guggulsterone E&Z

>  <Synonyms> (797)
N/A

>  <Target> (797)
FXR

>  <Form> (797)
free base

>  <CAS> (797)
95975-55-6

>  <URL> (797)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/08142011082D

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   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
  6 11  2  0  0  0  0
  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> (798)
798

>  <Formula> (798)
C24H24F3N5O5S3

>  <MolWeight> (798)
615.6680696

>  <Cat> (798)
S5069

>  <Name> (798)
Dabrafenib Mesylate

>  <Synonyms> (798)
GSK2118436 Mesylate

>  <Target> (798)
Raf

>  <Form> (798)
mesylate

>  <CAS> (798)
1195768-06-9

>  <URL> (798)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/08142011082D

 46 49  0  0  0  0  0  0  0  0999 V2000
    7.3937    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8363    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6283    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   16.3525   12.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
  2 13  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 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  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
 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> (799)
799

>  <Formula> (799)
C33H39N5O7S

>  <MolWeight> (799)
649.75706

>  <Cat> (799)
S5234

>  <Name> (799)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (799)
Intedanib, BIBF 1120

>  <Target> (799)
VEGFR,FGFR,PDGFR

>  <Form> (799)
ethanesulfonate 

>  <CAS> (799)
656247-18-6

>  <URL> (799)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/08142011082D

 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
    5.9792    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   17.9591    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1715    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673    2.0927    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  2  0  0  0  0
  5  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 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 12  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
 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> (800)
800

>  <Formula> (800)
C29H31FN4O7

>  <MolWeight> (800)
566.5774432

>  <Cat> (800)
S5242

>  <Name> (800)
Cediranib Maleate

>  <Synonyms> (800)
AZD-2171 maleate

>  <Target> (800)
VEGFR

>  <Form> (800)
maleate

>  <CAS> (800)
 857036-77-2

>  <URL> (800)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/08142011082D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (801)
801

>  <Formula> (801)
C22H42O2

>  <MolWeight> (801)
338.56768

>  <Cat> (801)
S5383

>  <Name> (801)
Erucic acid

>  <Synonyms> (801)
cis-13-docosenoic acid

>  <Target> (801)
Others

>  <Form> (801)
free base

>  <CAS> (801)
112-86-7

>  <URL> (801)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/08142011082D

  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> (802)
802

>  <Formula> (802)
C3H3BrO3

>  <MolWeight> (802)
166.95812

>  <Cat> (802)
S5426

>  <Name> (802)
Bromopyruvic acid

>  <Synonyms> (802)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (802)
Others

>  <Form> (802)
free base

>  <CAS> (802)
1113-59-3

>  <URL> (802)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/08142011082D

 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> (803)
803

>  <Formula> (803)
C8H6BrN

>  <MolWeight> (803)
196.04394

>  <Cat> (803)
S5439

>  <Name> (803)
5-Bromoindole

>  <Synonyms> (803)
N/A

>  <Target> (803)
GSK-3

>  <Form> (803)
free base

>  <CAS> (803)
10075-50-0

>  <URL> (803)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/08142011082D

 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> (804)
804

>  <Formula> (804)
C11H12O4

>  <MolWeight> (804)
208.21058

>  <Cat> (804)
S5451

>  <Name> (804)
Ferulic acid methyl ester

>  <Synonyms> (804)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (804)
Immunology & Inflammation related

>  <Form> (804)
free base

>  <CAS> (804)
149567

>  <URL> (804)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/08142011082D

 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> (805)
805

>  <Formula> (805)
C20H14ClNO4

>  <MolWeight> (805)
367.78246

>  <Cat> (805)
S5452

>  <Name> (805)
Sanguinarine chloride

>  <Synonyms> (805)
N/A

>  <Target> (805)
phosphatase

>  <Form> (805)
chloride 

>  <CAS> (805)
5578-73-4

>  <URL> (805)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/08142011082D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    4.1879    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  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
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  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
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (806)
806

>  <Formula> (806)
C20H20O4

>  <MolWeight> (806)
324.3704

>  <Cat> (806)
S5456

>  <Name> (806)
Isobavachalcone

>  <Synonyms> (806)
Corylifolinin

>  <Target> (806)
Anti-infection

>  <Form> (806)
free base

>  <CAS> (806)
20784-50-3

>  <URL> (806)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/08142011082D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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    7.0000    0.0000 O   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
    3.6373    2.8000    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
    2.4249    2.1000    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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   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
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  2  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
    7.2746   10.5000    0.0000 O   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    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  2  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
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    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
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 21 18  1  1  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
 27 31  1  1  0  0  0
 27 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (807)
807

>  <Formula> (807)
C22H26O11

>  <MolWeight> (807)
466.43524

>  <Cat> (807)
S5457

>  <Name> (807)
Curculigoside

>  <Synonyms> (807)
Curculigoside A

>  <Target> (807)
Immunology & Inflammation related

>  <Form> (807)
free base

>  <CAS> (807)
85643-19-2

>  <URL> (807)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/08142011082D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (808)
808

>  <Formula> (808)
C29H36O15

>  <MolWeight> (808)
624.58714

>  <Cat> (808)
S5458

>  <Name> (808)
Verbascoside

>  <Synonyms> (808)
Acteoside, Kusaginin

>  <Target> (808)
Immunology & Inflammation related

>  <Form> (808)
free base

>  <CAS> (808)
61276-17-3

>  <URL> (808)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  9  1  0  0  0  0
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M  END
>  <Mol_ID> (809)
809

>  <Formula> (809)
C20H16O5

>  <MolWeight> (809)
336.33804

>  <Cat> (809)
S5464

>  <Name> (809)
Psoralidin

>  <Synonyms> (809)
N/A

>  <Target> (809)
Estrogen/progestogen Receptor

>  <Form> (809)
free base

>  <CAS> (809)
18642-23-4

>  <URL> (809)
http://selleckchem.com/products/psoralidin.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/08142011082D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 27 22  1  0  0  0  0
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 32 28  1  1  0  0  0
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M  END
>  <Mol_ID> (810)
810

>  <Formula> (810)
C27H30O15

>  <MolWeight> (810)
594.5181

>  <Cat> (810)
S5468

>  <Name> (810)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (810)
Kaempferol 3-neohesperidoside

>  <Target> (810)
Others

>  <Form> (810)
salt

>  <CAS> (810)
40437-72-7

>  <URL> (810)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
S5529 Galangin.cdx
csChFnd80/08142011082D

 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
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (811)
811

>  <Formula> (811)
C15H10O5

>  <MolWeight> (811)
270.2369

>  <Cat> (811)
S5529

>  <Name> (811)
Galangin

>  <Synonyms> (811)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (811)
P450 (e.g. CYP17)

>  <Form> (811)
free base

>  <CAS> (811)
548-83-4

>  <URL> (811)
http://selleckchem.com/products/galangin.html

$$$$
S5534 Cinchocaine.cdx
csChFnd80/08142011082D

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    2.4247    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8613    2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    3.6234    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9245    2.8259    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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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  5 10  2  0  0  0  0
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M  END
>  <Mol_ID> (812)
812

>  <Formula> (812)
C20H29N3O2

>  <MolWeight> (812)
343.46316

>  <Cat> (812)
S5534

>  <Name> (812)
Cinchocaine

>  <Synonyms> (812)
Dibucaine

>  <Target> (812)
Others

>  <Form> (812)
free base

>  <CAS> (812)
85-79-0

>  <URL> (812)
http://selleckchem.com/products/cinchocaine.html

$$$$
S5588 Creatine.cdx
csChFnd80/08142011082D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C4H9N3O2

>  <MolWeight> (813)
131.13316

>  <Cat> (813)
S5588

>  <Name> (813)
Creatine

>  <Synonyms> (813)
Methylguanidoacetic acid

>  <Target> (813)
Others

>  <Form> (813)
free base

>  <CAS> (813)
57-00-1

>  <URL> (813)
http://selleckchem.com/products/creatine.html

$$$$
UM-164.cdx
csChFnd80/08142011082D

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   11.2152    9.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (814)
814

>  <Formula> (814)
C30H31F3N8O3S

>  <MolWeight> (814)
640.6791496

>  <Cat> (814)
S8706

>  <Name> (814)
UM-164

>  <Synonyms> (814)
N/A

>  <Target> (814)
Src,p38 MAPK

>  <Form> (814)
free base

>  <CAS> (814)
903564-48-7

>  <URL> (814)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/08142011082D

 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
    9.6996    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (815)
815

>  <Formula> (815)
C28H23ClF3N7O

>  <MolWeight> (815)
565.9767296

>  <Cat> (815)
S5205

>  <Name> (815)
Nilotinib hydrochloride

>  <Synonyms> (815)
AMN-107 HCl

>  <Target> (815)
Bcr-Abl

>  <Form> (815)
hydrochloride 

>  <CAS> (815)
923288-95-3

>  <URL> (815)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (816)
816

>  <Formula> (816)
C22H23ClN4O7S

>  <MolWeight> (816)
522.95862

>  <Cat> (816)
S5240

>  <Name> (816)
lenvatinib Mesylate

>  <Synonyms> (816)
N/A

>  <Target> (816)
VEGFR

>  <Form> (816)
Mesylate

>  <CAS> (816)
 857890-39-2

>  <URL> (816)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C6HBr4N3

>  <MolWeight> (817)
434.70824

>  <Cat> (817)
S5265

>  <Name> (817)
TBB

>  <Synonyms> (817)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (817)
Casein Kinase

>  <CAS> (817)
17374-26-4

>  <URL> (817)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/08142011082D

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 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> (818)
818

>  <Formula> (818)
C22H28FN4O6P

>  <MolWeight> (818)
494.4530842

>  <Cat> (818)
S5272

>  <Name> (818)
Toceranib phosphate

>  <Synonyms> (818)
SU11654

>  <Target> (818)
PDGFR¦Â

>  <Form> (818)
phosphate 

>  <CAS> (818)
874819-74-6

>  <URL> (818)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/08142011082D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C25H23ClN4O4

>  <MolWeight> (819)
478.92752

>  <Cat> (819)
S8711

>  <Name> (819)
ARQ 531

>  <Synonyms> (819)
N/A

>  <Target> (819)
BTK

>  <Form> (819)
free base

>  <CAS> (819)
2095393-15-8

>  <URL> (819)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/08142011082D

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   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2095    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    8.9950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9561   10.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9943    8.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7324    5.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019    3.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    3.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5171    4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9477    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5553    6.3573    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
    0.0000    0.7000    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
    2.4249    0.7000    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
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   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
  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
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 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
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
  8 12  1  0  0  0  0
 12 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  8  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C30H34N8O3

>  <MolWeight> (820)
554.64276

>  <Cat> (820)
S8724

>  <Name> (820)
Lazertinib (YH25448,GNS-1480)

>  <Form> (820)
free base

>  <CAS> (820)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/08142011082D

 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
    3.6482    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729    3.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8605    5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0077    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    3.5093    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
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  2  0  0  0  0
  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> (821)
821

>  <Formula> (821)
C9H10O5

>  <MolWeight> (821)
198.1727

>  <Cat> (821)
S5550

>  <Name> (821)
Ethyl gallate

>  <Synonyms> (821)
N/A

>  <Target> (821)
NF-¦ÊB

>  <CAS> (821)
831-61-8

>  <URL> (821)
http://selleckchem.com/products/.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/08142011082D

 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
    2.4302    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    4.1796    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  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (822)
822

>  <Formula> (822)
C10H6O4

>  <MolWeight> (822)
190.15224

>  <Cat> (822)
S9361

>  <Name> (822)
Coumarin-3-carboxylic acid

>  <Form> (822)
free base

>  <CAS> (822)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0904    1.1338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9118    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905    1.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8660    0.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    2.4679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3936    3.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    2.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (823)
823

>  <Formula> (823)
C10H14N5O7P

>  <MolWeight> (823)
347.221221

>  <Cat> (823)
S9366

>  <Name> (823)
5'-Adenylic acid

>  <Form> (823)
free base

>  <CAS> (823)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/08142011082D

 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> (824)
824

>  <Formula> (824)
C8H8O3

>  <MolWeight> (824)
152.14732

>  <Cat> (824)
S9374

>  <Name> (824)
2',5'-Dihydroxyacetophenone

>  <CAS> (824)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/08142011082D

 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> (825)
825

>  <Formula> (825)
C15H24N2O2

>  <MolWeight> (825)
264.36326

>  <Cat> (825)
S9384

>  <Name> (825)
Sophocarpine Monohydrate

>  <Form> (825)
free base

>  <CAS> (825)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/08142011082D

 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> (826)
826

>  <Formula> (826)
C6H13NO3

>  <MolWeight> (826)
147.17232

>  <Cat> (826)
S9393

>  <Name> (826)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (826)
free base

>  <CAS> (826)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (827)
827

>  <Formula> (827)
C20H20O6

>  <MolWeight> (827)
356.3692

>  <Cat> (827)
S9406

>  <Name> (827)
Sauchinone

>  <CAS> (827)
177931-17-8

$$$$
S9414 Cyasterone.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (828)
828

>  <Formula> (828)
C29H44O8

>  <MolWeight> (828)
520.65486

>  <Cat> (828)
S9414

>  <Name> (828)
Cyasterone

>  <Form> (828)
free base

>  <CAS> (828)
17086-76-9

$$$$

csChFnd80/08142011082D

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>  <Mol_ID> (829)
829

>  <Formula> (829)
C6H6Br6

>  <MolWeight> (829)
557.53584

>  <Cat> (829)
S5902

>  <Name> (829)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (829)
NSC7908

>  <Target> (829)
JAK

>  <Form> (829)
Free Base

>  <CAS> (829)
1837-91-8

>  <URL> (829)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (830)
830

>  <Formula> (830)
C16H15N3O3

>  <MolWeight> (830)
297.3086

>  <Cat> (830)
S5903

>  <Name> (830)
JANEX-1

>  <Synonyms> (830)
WHI-P131

>  <Target> (830)
JAK

>  <Form> (830)
Free Base

>  <CAS> (830)
202475-60-3

>  <URL> (830)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/08142011082D

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  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> (831)
831

>  <Formula> (831)
C16H13Br2N3O3

>  <MolWeight> (831)
455.10072

>  <Cat> (831)
S5904

>  <Name> (831)
WHI-P97

>  <Synonyms> (831)
N/A

>  <Target> (831)
JAK

>  <Form> (831)
Free Base

>  <CAS> (831)
211555-05-4

>  <URL> (831)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/08142011082D

 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
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    3.3125    2.6125    0.0000 N   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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   12.9704    3.9407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    5.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (832)
832

>  <Formula> (832)
C22H23N5O2

>  <MolWeight> (832)
389.45032

>  <Cat> (832)
S5917

>  <Name> (832)
Solcitinib

>  <Synonyms> (832)
GLPG0778, GSK2586184

>  <Target> (832)
JAK

>  <Form> (832)
Free Base

>  <CAS> (832)
1206163-45-2

>  <URL> (832)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/08142011082D

 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
    2.4249    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3425    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9798    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1922    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.6125    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
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 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
 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (833)
833

>  <Formula> (833)
C19H33NO2

>  <MolWeight> (833)
307.47082

>  <Cat> (833)
S5950

>  <Name> (833)
Fingolimod

>  <Form> (833)
Free Base

>  <CAS> (833)
162359-55-9

$$$$

csChFnd80/08142011082D

 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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    3.8207    3.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8207    6.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    3.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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 16 12  1  0  0  0  0
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 17 18  2  0  0  0  0
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 21 27  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  7  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
 31 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 31  1  0  0  0  0
 36 38  1  6  0  0  0
M  END
>  <Mol_ID> (834)
834

>  <Formula> (834)
C25H21F3N6O3S

>  <MolWeight> (834)
542.5328496

>  <Cat> (834)
S7965

>  <Name> (834)
PLX8394

>  <Synonyms> (834)
N/A

>  <Target> (834)
Raf

>  <Form> (834)
Free Base

>  <CAS> (834)
1393466-87-9

>  <URL> (834)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/08142011082D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 14  1  0  0  0  0
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M  END
>  <Mol_ID> (835)
835

>  <Formula> (835)
C16H20BrN5O

>  <MolWeight> (835)
378.2669

>  <Cat> (835)
S8526

>  <Name> (835)
GDC-0575 (ARRY-575, RG7741)

>  <Synonyms> (835)
N/A

>  <Target> (835)
Chk

>  <Form> (835)
Free Base

>  <CAS> (835)
1196541-47-5

>  <URL> (835)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/08142011082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (836)
836

>  <Formula> (836)
C24H28N4O3

>  <MolWeight> (836)
420.50412

>  <Cat> (836)
S8556

>  <Name> (836)
AZ31

>  <Synonyms> (836)
N/A

>  <Target> (836)
ATM/ATR

>  <Form> (836)
Free Base

>  <CAS> (836)
2088113-98-6

>  <URL> (836)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/08142011082D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (837)
837

>  <Formula> (837)
C23H14ClF3N6O

>  <MolWeight> (837)
482.8450696

>  <Cat> (837)
S8560

>  <Name> (837)
Seletalisib (UCB-5857)

>  <Synonyms> (837)
N/A

>  <Target> (837)
PI3K

>  <Form> (837)
Free Base

>  <CAS> (837)
1362850-20-1

>  <URL> (837)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/08142011082D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C29H29FN4O

>  <MolWeight> (838)
468.5651632

>  <Cat> (838)
S8609

>  <Name> (838)
Derazantinib(ARQ-087)

>  <Synonyms> (838)
N/A

>  <Target> (838)
FGFR

>  <Form> (838)
Free Base

>  <CAS> (838)
1234356-69-4

>  <URL> (838)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C13H12ClN3O2

>  <MolWeight> (839)
277.70628

>  <Cat> (839)
S8641

>  <Name> (839)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (839)
Necrostatin-1 stable

>  <Target> (839)
TNF-alpha

>  <Form> (839)
Free Base

>  <CAS> (839)
852391-15-2

>  <URL> (839)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/08142011082D

 31 35  0  0  0  0  0  0  0  0999 V2000
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   14.5709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (840)
840

>  <Formula> (840)
C24H18ClN3O3

>  <MolWeight> (840)
431.87102

>  <Cat> (840)
S8654

>  <Name> (840)
ex229 (compound 991)

>  <Synonyms> (840)
N/A

>  <Target> (840)
AMPK

>  <Form> (840)
Free Base

>  <CAS> (840)
1219739-36-2

>  <URL> (840)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/08142011082D

 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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   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
    9.3461    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (841)
841

>  <Formula> (841)
C24H23FN8O2

>  <MolWeight> (841)
474.4902232

>  <Cat> (841)
S8679

>  <Name> (841)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (841)
N/A

>  <Target> (841)
BTK

>  <Form> (841)
Free Base

>  <CAS> (841)
2230724-66-8

>  <URL> (841)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/08142011082D

 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
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    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    5.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3084    8.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  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> (842)
842

>  <Formula> (842)
C14H11ClN4S2

>  <MolWeight> (842)
334.84694

>  <Cat> (842)
S8700

>  <Name> (842)
TP0427736 HCl

>  <Synonyms> (842)
N/A

>  <Target> (842)
ALK

>  <Form> (842)
hydrochloride

>  <CAS> (842)
864374-00-5

>  <URL> (842)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/08142011082D

 36 39  0  0  0  0  0  0  0  0999 V2000
    2.4725    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3222    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5517    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  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
 10 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
 11 16  1  0  0  0  0
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 13 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 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
  7 31  1  0  0  0  0
 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> (843)
843

>  <Formula> (843)
C28H30FN3O4

>  <MolWeight> (843)
491.5539032

>  <Cat> (843)
S8723

>  <Name> (843)
ABBV-744

>  <Synonyms> (843)
N/A

>  <Target> (843)
Epigenetic Reader Do

>  <Form> (843)
Free Base

>  <CAS> (843)
2138861-99-9

>  <URL> (843)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/08142011082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  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
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (844)
844

>  <Formula> (844)
C18H18FN5O2S

>  <MolWeight> (844)
387.4312232

>  <Cat> (844)
S8727

>  <Name> (844)
Atuveciclib (BAY-1143572)

>  <Synonyms> (844)
N/A

>  <Target> (844)
CDK

>  <Form> (844)
Free Base

>  <CAS> (844)
1414943-88-6

>  <URL> (844)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  9 10  1  0  0  0  0
 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
 14 15  2  0  0  0  0
 15 11  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
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C20H16N4O

>  <MolWeight> (845)
328.36724

>  <Cat> (845)
S8729

>  <Name> (845)
AZ32

>  <Synonyms> (845)
N/A

>  <Target> (845)
ATM/ATR

>  <Form> (845)
Free Base

>  <CAS> (845)
No CAS

>  <URL> (845)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/08142011082D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   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 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
    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  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
  7 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  7  1  0  0  0  0
  8 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  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> (846)
846

>  <Formula> (846)
C17H20F3N7O2

>  <MolWeight> (846)
411.3816096

>  <Cat> (846)
S8738

>  <Name> (846)
Bimiralisib (PQR309)

>  <Synonyms> (846)
N/A

>  <Target> (846)
PI3K

>  <Form> (846)
Free Base

>  <CAS> (846)
1225037-39-7

>  <URL> (846)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/08142011082D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 15 22  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 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> (847)
847

>  <Formula> (847)
C26H26FN7O2

>  <MolWeight> (847)
487.5287432

>  <Cat> (847)
S8741

>  <Name> (847)
Avitinib (AC0010)

>  <Synonyms> (847)
N/A

>  <Target> (847)
EGFR

>  <Form> (847)
Free Base

>  <CAS> (847)
1557267-42-1

>  <URL> (847)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/08142011082D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C25H25F3N4O4

>  <MolWeight> (848)
502.4856096

>  <Cat> (848)
S8745

>  <Name> (848)
LXH254

>  <Synonyms> (848)
N/A

>  <Target> (848)
Raf

>  <Form> (848)
Free Base

>  <CAS> (848)
1800398-38-2

>  <URL> (848)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/08142011082D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C22H18N4

>  <MolWeight> (849)
338.40512

>  <Cat> (849)
S8749

>  <Name> (849)
MBQ-167

>  <Synonyms> (849)
N/A

>  <Target> (849)
Rho

>  <Form> (849)
Free Base

>  <CAS> (849)
2097938-73-1

>  <URL> (849)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/08142011082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C21H25F3N6O2

>  <MolWeight> (850)
450.4574096

>  <Cat> (850)
S8752

>  <Name> (850)
leniolisib(CDZ 173)

>  <Synonyms> (850)
N/A

>  <Target> (850)
PI3K

>  <Form> (850)
Free Base

>  <CAS> (850)
1354690-24-6

>  <URL> (850)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/08142011082D

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>  <Mol_ID> (851)
851

>  <Formula> (851)
C19H15N3O6S

>  <MolWeight> (851)
413.4039

>  <Cat> (851)
S8754

>  <Name> (851)
Alofanib(RPT835)

>  <Synonyms> (851)
N/A

>  <Target> (851)
FGFR

>  <Form> (851)
Free Base

>  <CAS> (851)
1612888-66-0

>  <URL> (851)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

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M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C24H21BrFN5O2

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>  <Cat> (852)
S8757

>  <Name> (852)
Ripretinib (DCC-2618)

>  <Synonyms> (852)
N/A

>  <Target> (852)
c-Kit

>  <Form> (852)
Free Base

>  <CAS> (852)
1442472-39-0

>  <URL> (852)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/08142011082D

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>  <Mol_ID> (853)
853

>  <Formula> (853)
C26H23FN8O

>  <MolWeight> (853)
482.5122232

>  <Cat> (853)
S8764

>  <Name> (853)
IITZ-01

>  <Synonyms> (853)
N/A

>  <Target> (853)
Autophagy

>  <Form> (853)
Free Base

>  <CAS> (853)
1807988-47-1

>  <URL> (853)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (854)
854

>  <Formula> (854)
C36H62O8

>  <MolWeight> (854)
622.87268

>  <Cat> (854)
S9023

>  <Name> (854)
20S-Ginsenoside Rh2

>  <Form> (854)
free base

>  <CAS> (854)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (855)
855

>  <Formula> (855)
C38H46O8

>  <MolWeight> (855)
630.76704

>  <Cat> (855)
S9031

>  <Name> (855)
Gambogenic acid

>  <Form> (855)
free base

>  <CAS> (855)
173932-75-7

$$$$
S9071 Nootkatone.cdx
csChFnd80/08142011082D

 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
    3.6371    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4840    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2742    4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  2  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
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  9 11  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C15H22O

>  <MolWeight> (856)
218.33458

>  <Cat> (856)
S9071

>  <Name> (856)
Nootkatone

>  <Form> (856)
free base

>  <CAS> (856)
4674-50-4

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/08142011082D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    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    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
  1  2  2  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 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 18  1  0  0  0  0
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 17 20  1  0  0  0  0
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 23  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C21H20O6

>  <MolWeight> (857)
368.3799

>  <Cat> (857)
S9080

>  <Name> (857)
Anhydroicaritin

>  <Form> (857)
free base

>  <CAS> (857)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/08142011082D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    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
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 23  1  1  0  0  0
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 35 39  1  6  0  0  0
 37 40  1  6  0  0  0
 37 38  1  0  0  0  0
 38 41  1  1  0  0  0
M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C27H30O14

>  <MolWeight> (858)
578.5187

>  <Cat> (858)
S9084

>  <Name> (858)
Rhoifolin

>  <Form> (858)
free base

>  <CAS> (858)
17306-46-6

$$$$
S9092 Norisoboldine.cdx
csChFnd80/08142011082D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8494    2.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    3.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564    1.3999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
 12  4  1  0  0  0  0
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 10  5  1  0  0  0  0
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 16  6  1  0  0  0  0
 21  7  1  0  0  0  0
 11  7  1  0  0  0  0
 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C18H19NO4

>  <MolWeight> (859)
313.34776

>  <Cat> (859)
S9092

>  <Name> (859)
Norisoboldine

>  <Form> (859)
free base

>  <CAS> (859)
23599-69-1

$$$$

csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
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30220-46-3

$$$$
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Magnolin

>  <CAS> (861)
31008-18-1

$$$$
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csChFnd80/08142011082D

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>  <CAS> (862)
41059-79-4

$$$$
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>  <Cat> (863)
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>  <Name> (863)
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>  <CAS> (863)
480-19-3

$$$$
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>  <Name> (865)
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>  <Form> (865)
free base

>  <CAS> (865)
50773-41-6

$$$$
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csChFnd80/08142011082D

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>  <Cat> (866)
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csChFnd80/08142011082D

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M  END
>  <Mol_ID> (868)
868

>  <Formula> (868)
C20H26O4

>  <MolWeight> (868)
330.41804

>  <Cat> (868)
S9127

>  <Name> (868)
Carnosol

>  <Form> (868)
free base

>  <CAS> (868)
5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C37H40N2O6

>  <MolWeight> (869)
608.7233

>  <Cat> (869)
S9141

>  <Name> (869)
Berbamine

>  <Form> (869)
free base

>  <CAS> (869)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C20H18NO4+

>  <MolWeight> (870)
336.36122

>  <Cat> (870)
S9152

>  <Name> (870)
Epiberberine

>  <Form> (870)
free base

>  <CAS> (870)
1816598

$$$$
S9159 Momordin Ic.cdx
csChFnd80/08142011082D

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 32 49  1  6  0  0  0
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 41 58  1  0  0  0  0
 13 14  1  0  0  0  0
 41 59  2  0  0  0  0
M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C41H64O13

>  <MolWeight> (871)
764.93906

>  <Cat> (871)
S9159

>  <Name> (871)
Momordin Ic

>  <Form> (871)
free base

>  <CAS> (871)
96990-18-0

$$$$
S9162 Rubimaillin.cdx
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.7915    5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C17H16O4

>  <MolWeight> (872)
284.30654

>  <Cat> (872)
S9162

>  <Name> (872)
Rubimaillin

>  <CAS> (872)
55481-88-4

$$$$
S9172 Phellodendrine.cdx
csChFnd80/08142011082D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 17  1  1  0  0  0  0
 19  1  1  0  0  0  0
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 11  4  1  0  0  0  0
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 13  6  1  0  0  0  0
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 12  7  2  0  0  0  0
 10  9  1  0  0  0  0
 20 10  1  0  0  0  0
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 18 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C20H24NO4+

>  <MolWeight> (873)
342.40886

>  <Cat> (873)
S9172

>  <Name> (873)
Phellodendrine

>  <Form> (873)
free base

>  <CAS> (873)
6873-13-8

$$$$
S9190 Oroxin B.cdx
csChFnd80/08142011082D

 42 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.8000    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> (874)
874

>  <Formula> (874)
C27H30O15

>  <MolWeight> (874)
594.5181

>  <Cat> (874)
S9190

>  <Name> (874)
Oroxin B

>  <Form> (874)
free base

>  <CAS> (874)
114482-86-9

$$$$

csChFnd80/08142011082D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C16H11N3O2

>  <MolWeight> (875)
277.27744

>  <Cat> (875)
S2009

>  <Name> (875)
Indirubin-3'-monoxime

>  <Synonyms> (875)
Indirubin-3'-oxime

>  <Target> (875)
CDK

>  <Form> (875)
Free Base

>  <CAS> (875)
160807-49-8

>  <URL> (875)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/08142011082D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   12.6638    6.0535    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  5  1  0  0  0  0
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  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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  2 10  1  0  0  0  0
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 27 28  1  0  0  0  0
 16 27  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C20H20N4O3S

>  <MolWeight> (876)
396.4628

>  <Cat> (876)
S2039

>  <Name> (876)
IRAK inhibitor 6

>  <Synonyms> (876)
N/A

>  <Target> (876)
IL Receptor

>  <Form> (876)
Free Base

>  <CAS> (876)
1042672-97-8

>  <URL> (876)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C32H38O19

>  <MolWeight> (877)
726.63272

>  <Cat> (877)
S9230

>  <Name> (877)
Vaccarin

>  <Form> (877)
free base

>  <CAS> (877)
53452-16-7

$$$$
S9240 Isofraxidin.cdx
csChFnd80/08142011082D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8497    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> (878)
878

>  <Formula> (878)
C11H10O5

>  <MolWeight> (878)
222.1941

>  <Cat> (878)
S9240

>  <Name> (878)
Isofraxidin

>  <Form> (878)
free base

>  <CAS> (878)
486-21-5

$$$$
S9275 Isoguanosine.cdx
csChFnd80/08142011082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C10H13N5O5

>  <MolWeight> (879)
283.24072

>  <Cat> (879)
S9275

>  <Name> (879)
Isoguanosine

>  <Form> (879)
free base

>  <CAS> (879)
1818-71-9

$$$$

csChFnd80/08142011082D

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    2.4158    3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    3.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    3.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  1  1  0  0  0  0
  1  2  1  0  0  0  0
 19  3  2  0  0  0  0
  3 20  1  0  0  0  0
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  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 16 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 23 17  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C19H21N3O2S

>  <MolWeight> (880)
355.45394

>  <Cat> (880)
S2070

>  <Name> (880)
ISCK03

>  <Synonyms> (880)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (880)
c-Kit

>  <Form> (880)
Free Base

>  <CAS> (880)
945526-43-2

>  <URL> (880)
http://www.selleck.cn/products/isck03.html

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/08142011082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8437    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2041    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6327    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4202    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
  4  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11  2  2  0  0  0  0
  2  5  1  0  0  0  0
 14  3  1  0  0  0  0
  5  4  1  0  0  0  0
  9  4  1  0  0  0  0
  4 19  1  6  0  0  0
  6  7  1  0  0  0  0
 13  6  1  0  0  0  0
  6 15  1  6  0  0  0
  9  6  1  0  0  0  0
  7  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7 18  1  1  0  0  0
 12 10  2  0  0  0  0
 16 10  1  0  0  0  0
 13 17  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C15H20O2

>  <MolWeight> (881)
232.3181

>  <Cat> (881)
S9314

>  <Name> (881)
Atractylenolide II

>  <Form> (881)
free base

>  <CAS> (881)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/08142011082D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4418    2.8285    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  7  2  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
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 16 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
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 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C21H22O7

>  <MolWeight> (882)
386.39518

>  <Cat> (882)
S9315

>  <Name> (882)
Praeruptorin A

>  <Form> (882)
free base

>  <CAS> (882)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/08142011082D

 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
    3.6391    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0677    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640    0.6968    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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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C9H6O3

>  <MolWeight> (883)
162.14214

>  <Cat> (883)
S5548

>  <Name> (883)
7-Hydroxy-4-chromone

>  <Target> (883)
Src

>  <Form> (883)
free base

>  <CAS> (883)
59887-89-7

>  <URL> (883)
http://selleckchem.com/products/.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/08142011082D

 16 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    0.7000    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  0  0  0  0
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M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C14H28O2

>  <MolWeight> (884)
228.37092

>  <Cat> (884)
S5617

>  <Name> (884)
Myristic Acid

>  <Form> (884)
free base

>  <CAS> (884)
544-63-8

$$$$
S9041 Corosolic acid.cdx
csChFnd80/08142011082D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.2808    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  5  1  0  0  0  0
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M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C30H48O4

>  <MolWeight> (885)
472.69972

>  <Cat> (885)
S9041

>  <Name> (885)
Corosolic acid

>  <Form> (885)
free base

>  <CAS> (885)
4547-24-4

$$$$
S9042 Wedelolactone.cdx
csChFnd80/08142011082D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.9691    3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9290    4.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0101    1.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1455    3.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4023    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    5.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9700    2.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4424    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3621    2.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1865    1.7244    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
  5  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  2  1  0  0  0  0
  9  3  1  0  0  0  0
 17  3  2  0  0  0  0
 10  4  1  0  0  0  0
  4  8  2  0  0  0  0
  7  5  2  0  0  0  0
 11  5  1  0  0  0  0
  6  7  1  0  0  0  0
 12  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  1  0  0  0  0
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 19 10  1  0  0  0  0
 14 11  2  0  0  0  0
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 20 14  1  0  0  0  0
 16 14  1  0  0  0  0
 15 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C16H10O7

>  <MolWeight> (886)
314.2464

>  <Cat> (886)
S9042

>  <Name> (886)
Wedelolactone

>  <Form> (886)
free base

>  <CAS> (886)
524-12-9

$$$$
S9022 20S-Ginsenoside Rg3.cdx
csChFnd80/08142011082D

 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
   13.6888    7.7888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9205    5.5735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1002    7.7888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3595    8.5117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.1331    6.2729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7078    2.0754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9481    9.9809    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.5584    7.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2417   14.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8220   13.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9205    1.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4952    5.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4719    8.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9248    7.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6888   12.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6888    8.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0908   12.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4445    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2608    4.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4462   13.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0730   11.9397    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
  9  1  1  0  0  0  0
 26  1  1  0  0  0  0
  1 40  1  6  0  0  0
  5  2  1  0  0  0  0
 27  2  1  0  0  0  0
  2 42  1  1  0  0  0
  3  7  1  0  0  0  0
 10  3  1  0  0  0  0
  3 13  1  6  0  0  0
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 28  4  1  0  0  0  0
  4 43  1  1  0  0  0
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  5 58  1  6  0  0  0
  5 22  1  0  0  0  0
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  8  6  1  0  0  0  0
 14  6  1  0  0  0  0
  7 24  1  1  0  0  0
 15  7  1  0  0  0  0
 12  8  1  0  0  0  0
  8 35  1  6  0  0  0
 19  9  1  0  0  0  0
 23  9  1  0  0  0  0
  9 56  1  1  0  0  0
 10 36  1  1  0  0  0
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 16 11  1  0  0  0  0
 11 57  1  6  0  0  0
 12 37  1  1  0  0  0
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 21 14  1  0  0  0  0
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 25 16  1  0  0  0  0
 47 16  1  0  0  0  0
 48 16  1  0  0  0  0
 17 20  1  0  0  0  0
 17 38  1  6  0  0  0
 18 21  1  0  0  0  0
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 22 19  1  0  0  0  0
 19 41  1  1  0  0  0
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 31 23  1  0  0  0  0
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 25 24  1  1  0  0  0
 32 25  1  0  0  0  0
 30 26  1  0  0  0  0
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 31 44  1  1  0  0  0
 50 31  1  0  0  0  0
 31 53  1  6  0  0  0
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 49 50  1  0  0  0  0
 23 59  1  6  0  0  0
M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C42H72O13

>  <MolWeight> (887)
785.01328

>  <Cat> (887)
S9022

>  <Name> (887)
20S-Ginsenoside Rg3

>  <Form> (887)
free base

>  <CAS> (887)
14197-60-5

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/08142011082D

 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
    2.4363    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    3.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006    3.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    5.5954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1050    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
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  5 10  1  0  0  0  0
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 13 16  2  0  0  0  0
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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C15H8O4

>  <MolWeight> (888)
252.22162

>  <Cat> (888)
S9359

>  <Name> (888)
Anthraquinone-2-carboxylic Acid

>  <Form> (888)
free base

>  <CAS> (888)
117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/08142011082D

 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
    1.2288    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838    2.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    4.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C10H12O

>  <MolWeight> (889)
148.20168

>  <Cat> (889)
S9376

>  <Name> (889)
Benzylacetone

>  <Form> (889)
free base

>  <CAS> (889)
2550-26-7

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/08142011082D

 63 66  0  0  0  0  0  0  0  0999 V2000
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   23.9093    2.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.9093    6.6359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   25.3093    6.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C43H44ClFN4O11S3

>  <MolWeight> (890)
943.4760632

>  <Cat> (890)
S5241

>  <Name> (890)
Lapatinib ditosylate monohydrate

>  <Synonyms> (890)
Tykerb Ditosylate

>  <Target> (890)
Others

>  <Form> (890)
ditosylate monohydrate

>  <CAS> (890)
388082-78-8

>  <URL> (890)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (891)
891

>  <Formula> (891)
C22H27Cl2N7O2S

>  <MolWeight> (891)
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>  <Cat> (891)
S5254

>  <Name> (891)
Dasatinib hydrochloride

>  <Synonyms> (891)
BMS 354825 hydrochloride

>  <Target> (891)
Abl/Src

>  <Form> (891)
hydrochloride 

>  <CAS> (891)
854001-07-3

>  <URL> (891)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/08142011082D

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>  <Mol_ID> (892)
892

>  <Formula> (892)
C27H32F2N8

>  <MolWeight> (892)
506.5933864

>  <Cat> (892)
S5716

>  <Name> (892)
Abemaciclib

>  <Synonyms> (892)
LY2835219

>  <Target> (892)
CDK

>  <Form> (892)
free base

>  <CAS> (892)
1231929-97-7 

>  <URL> (892)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/08142011082D

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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> (893)
893

>  <Formula> (893)
C21H19N3O5

>  <MolWeight> (893)
393.39266

>  <Cat> (893)
S5667

>  <Name> (893)
Fruquintinib

>  <Target> (893)
VEGFRs

>  <CAS> (893)
1194506-26-7

>  <URL> (893)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/08142011082D

 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
    4.6513    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.3062    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    9.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2886    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0761    4.2000    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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    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> (894)
894

>  <Formula> (894)
C29H37N7O5S

>  <MolWeight> (894)
595.71298

>  <Cat> (894)
S5078

>  <Name> (894)
Osimertinib mesylate

>  <Synonyms> (894)
AZD9291 mesylate

>  <Target> (894)
EGFR

>  <Form> (894)
mesylate

>  <CAS> (894)
1421373-66-1

>  <URL> (894)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/08142011082D

 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
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (895)
895

>  <Formula> (895)
C16H21Cl2N3

>  <MolWeight> (895)
326.26404

>  <Cat> (895)
S5670

>  <Name> (895)
Chloropyramine hydrochloride

>  <Synonyms> (895)
Halopyramine hydrochloride

>  <Target> (895)
Histamine Receptor

>  <Form> (895)
hydrochloride

>  <CAS> (895)
6170-42-9

>  <URL> (895)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/08142011082D

 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
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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  2  0  0  0  0
  2  7  1  0  0  0  0
  4  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  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 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 15  1  0  0  0  0
 19 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
M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C22H21ClN2O3

>  <MolWeight> (896)
396.86674

>  <Cat> (896)
S5792

>  <Name> (896)
CID 2011756

>  <Synonyms> (896)
N/A

>  <Target> (896)
Serine/threonin kina

>  <Form> (896)
Free Base

>  <CAS> (896)
638156-11-3

>  <URL> (896)
http://www.selleckchem.com/products/cid-2011756.html

$$$$

csChFnd80/08142011082D

 28 31  0  0  0  0  0  0  0  0999 V2000
    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
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    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
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C22H23N5O

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N/A

>  <Target> (897)
VEGFR

>  <Form> (897)
Free Base

>  <CAS> (897)
453562-69-1

>  <URL> (897)
http://www.selleckchem.com/products/motesanib-amg-706.html

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csChFnd80/08142011082D

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898

>  <Formula> (898)
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>  <Cat> (898)
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>  <Synonyms> (898)
N/A

>  <Target> (898)
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>  <Form> (898)
Free Base

>  <CAS> (898)
173529-10-7

>  <URL> (898)
http://www.selleckchem.com/products/hmn-176.html

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csChFnd80/08142011082D

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899

>  <Formula> (899)
C21H16FN7O

>  <MolWeight> (899)
401.3964432

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acalisib (GS-9820)

>  <Synonyms> (899)
CAL-120

>  <Target> (899)
PI3K

>  <Form> (899)
Free Base

>  <CAS> (899)
870281-34-8

>  <URL> (899)
http://www.selleckchem.com/products/acalisib-gs-9820.html

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csChFnd80/08142011082D

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>  <Formula> (900)
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>  <MolWeight> (900)
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>  <Cat> (900)
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>  <Synonyms> (900)
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>  <Target> (900)
TGF-beta/Smad

>  <Form> (900)
Free Base

>  <CAS> (900)
1898283-02-7

>  <URL> (900)
http://www.selleckchem.com/products/ly3200882.html

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>  <MolWeight> (901)
384.47356

>  <Cat> (901)
S8775

>  <Name> (901)
HS-1371

>  <Synonyms> (901)
N/A

>  <Target> (901)
Serine/threonin kina

>  <Form> (901)
Free Base

>  <CAS> (901)
2158197-70-5

>  <URL> (901)
http://www.selleckchem.com/products/hs-1371.html

$$$$

csChFnd80/08142011082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    4.8497    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
    6.0622    4.2000    0.0000 C   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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   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
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 17 20  1  0  0  0  0
 19 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 19  1  0  0  0  0
 23 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
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C25H27N5O2

>  <MolWeight> (902)
429.51418

>  <Cat> (902)
S8777

>  <Name> (902)
Evobrutinib

>  <Synonyms> (902)
M-2951, MSC-2364447C

>  <Target> (902)
BTK

>  <Form> (902)
Free Base

>  <CAS> (902)
1415823-73-2

>  <URL> (902)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/08142011082D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7000    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
    6.0622    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
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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
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 19 13  1  0  0  0  0
 15 20  1  0  0  0  0
 18 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 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
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C22H21F3N6O2

>  <MolWeight> (903)
458.4363496

>  <Cat> (903)
S8801

>  <Name> (903)
CC-90003

>  <Synonyms> (903)
N/A

>  <Target> (903)
ERK

>  <Form> (903)
Free Base

>  <CAS> (903)
1621999-82-3

>  <URL> (903)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/08142011082D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
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 18 21  1  0  0  0  0
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 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C27H19ClN2O3

>  <MolWeight> (904)
454.90436

>  <Cat> (904)
S8803

>  <Name> (904)
MK-3903

>  <Synonyms> (904)
N/A

>  <Target> (904)
AMPK

>  <Form> (904)
Free Base

>  <CAS> (904)
1219737-12-8

>  <URL> (904)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/08142011082D

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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
  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> (905)
905

>  <Formula> (905)
C28H32O16

>  <MolWeight> (905)
624.54408

>  <Cat> (905)
S9455

>  <Name> (905)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (905)
N/A

>  <Target> (905)
Others

>  <Form> (905)
Free Base

>  <CAS> (905)
55033-90-4

>  <URL> (905)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/08142011082D

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.3952    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    3.4678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3952    5.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    3.4678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9460    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5957    6.3009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6974    2.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8443    5.5809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    2.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    7.6936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5957    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    5.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    1.3550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8443    4.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4489    4.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7889    4.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6974    0.6826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9460    2.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    8.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1117    0.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7196    3.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0345    5.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 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
  5  4  1  0  0  0  0
 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
 15 28  1  6  0  0  0
 15 29  1  1  0  0  0
 19 17  1  0  0  0  0
 18 30  1  6  0  0  0
 19 18  1  0  0  0  0
 27 20  1  0  0  0  0
 27 25  1  0  0  0  0
 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
 24 37  2  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C30H48O5

>  <MolWeight> (906)
488.69912

>  <Cat> (906)
S9514

>  <Name> (906)
Rotundic acid

>  <Synonyms> (906)
Rutundic acid

>  <Target> (906)
Others

>  <Form> (906)
Free Base

>  <CAS> (906)
20137-37-5

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

$$$$

csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2001    0.0000 O   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
    4.8498    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3003    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
  4  9  1  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
  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
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 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> (907)
907

>  <Formula> (907)
C17H16O5

>  <MolWeight> (907)
300.30594

>  <Cat> (907)
S9552

>  <Name> (907)
Farrerol

>  <Synonyms> (907)
N/A

>  <Target> (907)
Others

>  <Form> (907)
Free Base

>  <CAS> (907)
24211-30-1

>  <URL> (907)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/08142011082D

 12 12  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
    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
    1.2124    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
    1.2124    0.0000    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
    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
  4  7  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
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C10H10O2

>  <MolWeight> (908)
162.1852

>  <Cat> (908)
S6221

>  <Name> (908)
Methyl cinnamate

>  <Synonyms> (908)
N/A

>  <Target> (908)
Others

>  <Form> (908)
free base

>  <CAS> (908)
103-26-4

>  <URL> (908)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/08142011082D

 12 13  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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   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
    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
    2.4249    4.9000    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  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> (909)
909

>  <Formula> (909)
C7H9N5

>  <MolWeight> (909)
163.17986

>  <Cat> (909)
S6088

>  <Name> (909)
6-(Dimethylamino)purine

>  <Synonyms> (909)
N,N-Dimethyladenine

>  <Target> (909)
Serine/threonin kina

>  <Form> (909)
free base

>  <CAS> (909)
938-55-6

>  <URL> (909)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/08142011082D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.6406    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    6.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    7.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    8.3584    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.6258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.4953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2674    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    4.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    5.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3839    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    7.2258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    6.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    4.8010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199    6.0134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    4.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5199    3.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    2.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C25H23FN8O2S2

>  <MolWeight> (910)
550.6309232

>  <Cat> (910)
S7564

>  <Name> (910)
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>  <Synonyms> (910)
N/A

>  <Target> (910)
c-Met

>  <Form> (910)
free base

>  <CAS> (910)
1116743-46-4

>  <URL> (910)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C14H21N5O2S

>  <MolWeight> (911)
323.41384

>  <Cat> (911)
S8765

>  <Name> (911)
PF-04965842

>  <Synonyms> (911)
N/A

>  <Target> (911)
JAK

>  <Form> (911)
free base

>  <CAS> (911)
1622902-68-4

>  <URL> (911)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/08142011082D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
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>  <MolWeight> (912)
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>  <Cat> (912)
S8780

>  <Name> (912)
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>  <Synonyms> (912)
N/A

>  <Target> (912)
c-Kit

>  <Form> (912)
free base

>  <CAS> (912)
2248003-60-1

>  <URL> (912)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (913)
913

>  <Formula> (913)
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>  <MolWeight> (913)
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>  <Cat> (913)
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>  <Name> (913)
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>  <Synonyms> (913)
N/A

>  <Target> (913)
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>  <Form> (913)
free base

>  <CAS> (913)
1462249-75-7

>  <URL> (913)
http://www.selleck.cn/products/pfk158.html

$$$$

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914

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C27H24F3N5O2

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507.5069696

>  <Cat> (914)
S8810

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SPHINX31

>  <Synonyms> (914)
N/A

>  <Target> (914)
Serine/threonin kina

>  <Form> (914)
free base

>  <CAS> (914)
1818389-84-2

>  <URL> (914)
http://www.selleck.cn/products/sphinx31.html

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csChFnd80/08142011082D

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>  <Mol_ID> (915)
915

>  <Formula> (915)
C21H19ClNO4+

>  <MolWeight> (915)
384.83286

>  <Cat> (915)
S1292

>  <Name> (915)
Chelerythrine Chloride

>  <Synonyms> (915)
N/A

>  <Target> (915)
PKC

>  <Form> (915)
Chloride

>  <CAS> (915)
3895-92-9

>  <URL> (915)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/08142011082D

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>  <Mol_ID> (916)
916

>  <Formula> (916)
C26H31Cl2N7O3

>  <MolWeight> (916)
560.47544

>  <Cat> (916)
S2183

>  <Name> (916)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (916)
N/A

>  <Target> (916)
FGFR

>  <Form> (916)
Free Base

>  <CAS> (916)
872511-34-7

>  <URL> (916)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

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csChFnd80/08142011082D

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M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C18H21F2N7O

>  <MolWeight> (917)
389.4024464

>  <Cat> (917)
S8804

>  <Name> (917)
PF-06700841

>  <Synonyms> (917)
PF-841

>  <Target> (917)
JAK

>  <Form> (917)
Free Base

>  <CAS> (917)
1883299-62-4

>  <URL> (917)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/08142011082D

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1627856-64-7

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1609522-33-9

>  <URL> (920)
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518-17-2

>  <URL> (921)
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PI3K

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541550-19-0

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

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csChFnd80/08142011082D

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C25H35N3O2

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S6418

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>  <Synonyms> (924)
N/A

>  <Target> (924)
S1P Receptor

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Free Base

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947303-87-9

>  <URL> (924)
http://www.selleck.cn/products/pf429242.html

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csChFnd80/08142011082D

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N/A

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Free Base

>  <CAS> (925)
193620-69-8

>  <URL> (925)
http://www.selleck.cn/products/tas-301.html

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926

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S6443

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Chromium picolinate

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N/A

>  <Target> (926)
Others

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Free Base

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14639-25-9

>  <URL> (926)
http://www.selleck.cn/products/chromium-picolinate.html

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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29  7  1  0  0  0  0
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M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C29H39ClN7O2P

>  <MolWeight> (927)
584.092421

>  <Cat> (927)
S8229

>  <Name> (927)
Brigatinib (AP26113)

>  <Synonyms> (927)
N/A

>  <Target> (927)
ALK

>  <Form> (927)
Free Base

>  <CAS> (927)
1197953-54-0

>  <URL> (927)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/08142011082D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C19H18N4O3

>  <MolWeight> (928)
350.37122

>  <Cat> (928)
S8684

>  <Name> (928)
Selective JAK3 inhibitor 1

>  <Synonyms> (928)
N/A

>  <Target> (928)
JAK

>  <Form> (928)
Free Base

>  <CAS> (928)
1443235-95-7

>  <URL> (928)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/08142011082D

 32 36  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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 14  9  1  0  0  0  0
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 22  7  2  0  0  0  0
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 25 23  1  0  0  0  0
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M  END
>  <Mol_ID> (929)
929

>  <Formula> (929)
C23H20FN7O

>  <MolWeight> (929)
429.4496032

>  <Cat> (929)
S8693

>  <Name> (929)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (929)
N/A

>  <Target> (929)
PI3K

>  <Form> (929)
Free Base

>  <CAS> (929)
2088525-31-7

>  <URL> (929)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/08142011082D

 50 56  0  0  0  0  0  0  0  0999 V2000
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ERK

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N/A

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Epigenetic Reader Do

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Free Base

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1628607-64-6

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http://www.selleck.cn/products/incb054329.html

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N/A

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Trk receptor

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Free Base

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2095616-82-1

>  <URL> (932)
http://www.selleck.cn/products/ch7057288.html

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BTK

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1691249-45-2

>  <URL> (933)
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   16.3260    2.4178    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.3397    4.6331    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4880    3.7736    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  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  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 27  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C22H16F4N4OS

>  <MolWeight> (934)
460.4472528

>  <Cat> (934)
S8793

>  <Name> (934)
ULK-101

>  <Synonyms> (934)
N/A

>  <Target> (934)
Autophagy

>  <Form> (934)
Free Base

>  <CAS> (934)
no cas

>  <URL> (934)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    7.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2669    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (935)
935

>  <Formula> (935)
C14H14ClFN8

>  <MolWeight> (935)
348.7659632

>  <Cat> (935)
S2162

>  <Name> (935)
AZD1480

>  <Synonyms> (935)
N/A

>  <Target> (935)
JAK

>  <Form> (935)
free base

>  <CAS> (935)
935666-88-9

>  <URL> (935)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/08142011082D

 37 41  0  0  0  0  0  0  0  0999 V2000
   21.4061    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9275    1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5489    0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6490    1.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1276    3.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5062    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8275    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.2276    4.2893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8489    4.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3702    2.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490    5.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
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 20 24  1  0  0  0  0
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 30 25  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 34  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C26H21F3N4O4

>  <MolWeight> (936)
510.4645496

>  <Cat> (936)
S6412

>  <Name> (936)
Altiratinib

>  <Synonyms> (936)
DCC-2701

>  <Target> (936)
Trk receptor

>  <Form> (936)
free base

>  <CAS> (936)
1345847-93-9

>  <URL> (936)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/08142011082D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4268    3.6654    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
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C12H12O2

>  <MolWeight> (937)
188.22248

>  <Cat> (937)
S6493

>  <Name> (937)
n-Butylidenephthalide

>  <Synonyms> (937)
N/A

>  <Target> (937)
Others

>  <Form> (937)
free base

>  <CAS> (937)
551-08-6

>  <URL> (937)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/08142011082D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  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
  5 11  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C8H7BrO3

>  <MolWeight> (938)
231.04338

>  <Cat> (938)
S6495

>  <Name> (938)
6-Bromo-2-hydroxy-3-methoxybenzaldehyde

>  <Synonyms> (938)
N/A

>  <Target> (938)
Others

>  <Form> (938)
free base

>  <CAS> (938)
20035-41-0

>  <URL> (938)
http://www.selleck.cn/products/6-bromo-2-hydroxy-3-methoxybenzaldehyde.html

$$$$

csChFnd80/08142011082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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1811510-56-1

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free base

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362003-83-6

>  <URL> (944)
http://www.selleck.cn/products/nvp-231.html

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945

>  <Formula> (945)
C20H20ClN5O2

>  <MolWeight> (945)
397.8581

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S6502

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>  <Synonyms> (945)
N/A

>  <Target> (945)
p38 MAPK

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free base

>  <CAS> (945)
271576-80-8

>  <URL> (945)
http://www.selleck.cn/products/sd-0006.html

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csChFnd80/08142011082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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946

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>  <Cat> (946)
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>  <Name> (946)
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>  <Synonyms> (946)
N/A

>  <Target> (946)
BACE

>  <Form> (946)
free base

>  <CAS> (946)
333745-53-2

>  <URL> (946)
http://www.selleck.cn/products/lx2343.html

$$$$

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>  <Cat> (947)
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N/A

>  <Target> (947)
ALK

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free base

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1365267-27-1

>  <URL> (947)
http://www.selleck.cn/products/x-376.html

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M  END
>  <Mol_ID> (948)
949

>  <Formula> (948)
C16H15N3O2

>  <MolWeight> (948)
281.3092

>  <Cat> (948)
S6506

>  <Name> (948)
Compound 401

>  <Synonyms> (948)
N/A

>  <Target> (948)
DNA-PK

>  <Form> (948)
free base

>  <CAS> (948)
168425-64-7

>  <URL> (948)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/08142011082D

 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
   12.7627    0.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    4.8497    2.8000    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
    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
    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 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   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
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 Cl  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
  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 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  6 12  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  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 35  1  0  0  0  0
 30 35  2  0  0  0  0
 33 36  1  0  0  0  0
 29 30  1  0  0  0  0
 25 27  1  0  0  0  0
 24 25  1  0  0  0  0
 19 24  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (949)
950

>  <Formula> (949)
C24H28ClN2O7PS

>  <MolWeight> (949)
554.980081

>  <Cat> (949)
S6507

>  <Name> (949)
KN-92 phosphate

>  <Synonyms> (949)
N/A

>  <Target> (949)
Others

>  <Form> (949)
phosphate

>  <CAS> (949)
1135280-28-2

>  <URL> (949)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/08142011082D

 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
   17.1617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2244    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    1.4000    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
    0.7000    3.3124    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  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
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 11  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
 21 22  2  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
 23 28  1  0  0  0  0
 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 32  1  0  0  0  0
 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> (950)
951

>  <Formula> (950)
C24H26N4O3S

>  <MolWeight> (950)
450.55324

>  <Cat> (950)
S6508

>  <Name> (950)
Mitapivat

>  <Synonyms> (950)
AG-348

>  <Target> (950)
PKM

>  <Form> (950)
free base

>  <CAS> (950)
1260075-17-9

>  <URL> (950)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/08142011082D

 22 22  0  0  0  0  0  0  0  0999 V2000
   10.0012    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    2.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    4.1906    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2141    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    5.5906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    0.7057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    6.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.4157    7.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2058    8.3806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7855    8.3843    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
  3  8  1  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
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 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
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (951)
952

>  <Formula> (951)
C14H19Cl2N3O2S

>  <MolWeight> (951)
364.29056

>  <Cat> (951)
S6510

>  <Name> (951)
Iso-H7 dihydrochloride

>  <Synonyms> (951)
N/A

>  <Target> (951)
Phosphorylase

>  <Form> (951)
dihydrochloride

>  <CAS> (951)
140663-38-3

>  <URL> (951)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/08142011082D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.3124    4.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    2.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.9497    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  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
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 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
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M  END
>  <Mol_ID> (952)
953

>  <Formula> (952)
C13H19NO2

>  <MolWeight> (952)
221.29546

>  <Cat> (952)
S6511

>  <Name> (952)
RIPA-56

>  <Synonyms> (952)
N/A

>  <Target> (952)
TNF-alpha

>  <Form> (952)
free base

>  <CAS> (952)
1956370-21-0

>  <URL> (952)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/08142011082D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    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
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   13.3415    6.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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1104874-94-3

>  <URL> (953)
http://www.selleck.cn/products/defensamide.html

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>  <Cat> (954)
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N/A

>  <Target> (954)
ALK

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free base

>  <CAS> (954)
1356962-34-9

>  <URL> (954)
http://www.selleck.cn/products/hg-14-10-04.html

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>  <Formula> (955)
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>  <MolWeight> (955)
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>  <Cat> (955)
S6516

>  <Name> (955)
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>  <Synonyms> (955)
N/A

>  <Target> (955)
PI3K

>  <Form> (955)
free base

>  <CAS> (955)
1032754-81-6

>  <URL> (955)
http://www.selleck.cn/products/gne-477.html

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957

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>  <Synonyms> (956)
ADT-OH

>  <Target> (956)
Others

>  <Form> (956)
free base

>  <CAS> (956)
18274-81-2

>  <URL> (956)
http://www.selleck.cn/products/desmethylanethol-trithione.html

$$$$

csChFnd80/08142011082D

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free base

>  <CAS> (957)
575474-82-7

>  <URL> (957)
http://www.selleck.cn/products/r112.html

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M  END
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C16H15N3O3

>  <MolWeight> (958)
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>  <Synonyms> (958)
N/A

>  <Target> (958)
VEGFR

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free base

>  <CAS> (958)
211555-08-7

>  <URL> (958)
http://www.selleck.cn/products/whi-p180.html

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  5 10  2  0  0  0  0
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 10 14  1  0  0  0  0
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 19 21  2  0  0  0  0
  8 11  1  0  0  0  0
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M  END
>  <Mol_ID> (959)
960

>  <Formula> (959)
C16H15N3O2

>  <MolWeight> (959)
281.3092

>  <Cat> (959)
S6521

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WHI-P258

>  <Synonyms> (959)
N/A

>  <Target> (959)
JAK

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free base

>  <CAS> (959)
21561-09-1

>  <URL> (959)
http://www.selleck.cn/products/whi-p258.html

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csChFnd80/08142011082D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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961

>  <Formula> (960)
C23H24N2O

>  <MolWeight> (960)
344.44946

>  <Cat> (960)
S6524

>  <Name> (960)
NSC 42834

>  <Synonyms> (960)
JAK2 Inhibitor V

>  <Target> (960)
JAK

>  <Form> (960)
free base

>  <CAS> (960)
195371-52-9

>  <URL> (960)
http://www.selleck.cn/products/nsc-42834.html

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csChFnd80/08142011082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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962

>  <Formula> (961)
C14H9F4N5O4S

>  <MolWeight> (961)
419.3109728

>  <Cat> (961)
S6527

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>  <Synonyms> (961)
N/A

>  <Target> (961)
Rho

>  <Form> (961)
free base

>  <CAS> (961)
454453-49-7

>  <URL> (961)
http://www.selleck.cn/products/kobe2602.html

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963

>  <Formula> (962)
C20H14F3N3S

>  <MolWeight> (962)
385.4054696

>  <Cat> (962)
S6529

>  <Name> (962)
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>  <Synonyms> (962)
N/A

>  <Target> (962)
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>  <Form> (962)
free base

>  <CAS> (962)
959551-10-1

>  <URL> (962)
http://www.selleck.cn/products/nih-12848.html

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>  <URL> (967)
http://www.selleck.cn/products/b-rafin-1.html

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csChFnd80/08142011082D

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969

>  <Formula> (968)
C20H14Cl2FN5O2S

>  <MolWeight> (968)
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S6541

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>  <Synonyms> (968)
N/A

>  <Target> (968)
EGFR

>  <Form> (968)
free base

>  <CAS> (968)
1952236-05-3

>  <URL> (968)
http://www.selleck.cn/products/mtx-211.html

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csChFnd80/08142011082D

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>  <Mol_ID> (969)
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>  <Formula> (969)
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>  <MolWeight> (969)
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>  <Cat> (969)
S6543

>  <Name> (969)
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>  <Synonyms> (969)
N/A

>  <Target> (969)
VEGFR

>  <Form> (969)
free base

>  <CAS> (969)
413599-62-9

>  <URL> (969)
http://www.selleck.cn/products/zd-4190.html

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csChFnd80/08142011082D

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>  <Formula> (970)
C23H19F3N8O

>  <MolWeight> (970)
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>  <Cat> (970)
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>  <Name> (970)
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>  <Synonyms> (970)
N/A

>  <Target> (970)
Casein Kinase

>  <Form> (970)
free base

>  <CAS> (970)
1454585-06-8

>  <URL> (970)
http://www.selleck.cn/products/sr-3029.html

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>  <Formula> (971)
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>  <MolWeight> (971)
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>  <Cat> (971)
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BI-4464

>  <Synonyms> (971)
N/A

>  <Target> (971)
FAK

>  <Form> (971)
free base

>  <CAS> (971)
1227948-02-8

>  <URL> (971)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (972)
973

>  <Formula> (972)
C22H19N3O3

>  <MolWeight> (972)
373.40456

>  <Cat> (972)
S6567

>  <Name> (972)
Src Inhibitor 1

>  <Synonyms> (972)
N/A

>  <Target> (972)
Src

>  <Form> (972)
free base

>  <CAS> (972)
179248-59-0

>  <URL> (972)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/08142011082D

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974

>  <Formula> (973)
C19H20N4O3

>  <MolWeight> (973)
352.3871

>  <Cat> (973)
S6571

>  <Name> (973)
BQR695

>  <Synonyms> (973)
NVP-BQR695

>  <Target> (973)
PI4K

>  <Form> (973)
free base

>  <CAS> (973)
1513879-21-4

>  <URL> (973)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/08142011082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (974)
975

>  <Formula> (974)
C22H18ClN5O2

>  <MolWeight> (974)
419.86362

>  <Cat> (974)
S6574

>  <Name> (974)
KDU691

>  <Synonyms> (974)
N/A

>  <Target> (974)
PI4K

>  <Form> (974)
free base

>  <CAS> (974)
1513879-19-0

>  <URL> (974)
http://www.selleck.cn/products/kdu691.html

$$$$

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M  END
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976

>  <Formula> (975)
C20H25F3N6O3

>  <MolWeight> (975)
454.4461096

>  <Cat> (975)
S6577

>  <Name> (975)
PKC-theta inhibitor

>  <Synonyms> (975)
N/A

>  <Target> (975)
PKC

>  <Form> (975)
free base

>  <CAS> (975)
736048-65-0

>  <URL> (975)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/08142011082D

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977

>  <Formula> (976)
C16H16F3N5

>  <MolWeight> (976)
335.3269496

>  <Cat> (976)
S6578

>  <Name> (976)
Longdaysin

>  <Synonyms> (976)
N/A

>  <Target> (976)
Casein Kinase

>  <Form> (976)
free base

>  <CAS> (976)
1353867-91-0

>  <URL> (976)
http://www.selleck.cn/products/longdaysin.html

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csChFnd80/08142011082D

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M  END
>  <Mol_ID> (977)
978

>  <Formula> (977)
C21H17N9O2S

>  <MolWeight> (977)
459.48378

>  <Cat> (977)
S8676

>  <Name> (977)
Glumetinib

>  <Synonyms> (977)
N/A

>  <Target> (977)
c-Met

>  <Form> (977)
free base

>  <CAS> (977)
1642581-63-2

>  <URL> (977)
http://www.selleck.cn/products/glumetinib.html

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csChFnd80/08142011082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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979

>  <Formula> (978)
C25H28N4O2S

>  <MolWeight> (978)
448.58042

>  <Cat> (978)
S8826

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BAY-293

>  <Synonyms> (978)
N/A

>  <Target> (978)
Rho

>  <Form> (978)
free base

>  <CAS> (978)
2244904-70-7

>  <URL> (978)
http://www.selleck.cn/products/bay-293.html

$$$$

csChFnd80/08142011082D

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>  <Formula> (979)
C20H12F2N6

>  <MolWeight> (979)
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>  <Cat> (979)
S8854

>  <Name> (979)
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>  <Synonyms> (979)
N/A

>  <Target> (979)
c-Met

>  <Form> (979)
free base

>  <CAS> (979)
943540-74-7

>  <URL> (979)
http://www.selleck.cn/products/jnj-38877618.html

$$$$

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>  <URL> (980)
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free base

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2361659-62-1

>  <URL> (981)
http://www.selleck.cn/products/gsk8612.html

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free base

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1628256-23-4

>  <URL> (982)
http://www.selleck.cn/products/g1t38.html

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634.3572632

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S2934

>  <Name> (983)
Ensartinib (X-396) dihydrochloride

>  <Synonyms> (983)
N/A

>  <Target> (983)
ALK

>  <Form> (983)
Dihydrochloride

>  <CAS> (983)
2137030-98-7

>  <URL> (983)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

$$$$

csChFnd80/08142011082D

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985

>  <Formula> (984)
C21H16F3N3O3

>  <MolWeight> (984)
415.3652496

>  <Cat> (984)
S6526

>  <Name> (984)
SKLB 610

>  <Synonyms> (984)
N/A

>  <Target> (984)
VEGFR

>  <Form> (984)
Free Base

>  <CAS> (984)
1125780-41-7

>  <URL> (984)
http://www.selleck.cn/products/sklb610.html

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csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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986

>  <Formula> (985)
C17H16BrN3O2

>  <MolWeight> (985)
374.23184

>  <Cat> (985)
S6530

>  <Name> (985)
EBE-A22

>  <Synonyms> (985)
N/A

>  <Target> (985)
Others

>  <Form> (985)
Free Base

>  <CAS> (985)
229476-53-3

>  <URL> (985)
http://www.selleck.cn/products/ebe-a22.html

$$$$

csChFnd80/08142011082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 12  9  1  0  0  0  0
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987

>  <Formula> (986)
C18H24N6O

>  <MolWeight> (986)
340.42276

>  <Cat> (986)
S6531

>  <Name> (986)
Bohemine

>  <Synonyms> (986)
N/A

>  <Target> (986)
CDK

>  <Form> (986)
Free Base

>  <CAS> (986)
189232-42-6

>  <URL> (986)
http://www.selleck.cn/products/bohemine.html

$$$$

csChFnd80/08142011082D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (987)
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>  <Synonyms> (987)
N/A

>  <Target> (987)
LRRK2

>  <Form> (987)
Free Base

>  <CAS> (987)
1191911-27-9

>  <URL> (987)
http://www.selleck.cn/products/czc-54252.html

$$$$

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>  <MolWeight> (988)
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S6539

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>  <Synonyms> (988)
N/A

>  <Target> (988)
FGFR

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Free Base

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1453208-66-6

>  <URL> (988)
http://www.selleck.cn/products/asp5878.html

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990

>  <Formula> (989)
C16H19ClN6O

>  <MolWeight> (989)
346.81466

>  <Cat> (989)
S6540

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NG 52

>  <Synonyms> (989)
N/A

>  <Target> (989)
Others

>  <Form> (989)
Free Base

>  <CAS> (989)
212779-48-1

>  <URL> (989)
http://www.selleck.cn/products/ng-52.html

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csChFnd80/08142011082D

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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
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  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
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 10 14  1  0  0  0  0
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>  <Mol_ID> (990)
991

>  <Formula> (990)
C16H14BrN3O2

>  <MolWeight> (990)
360.20526

>  <Cat> (990)
S6546

>  <Name> (990)
PD153035

>  <Synonyms> (990)
N/A

>  <Target> (990)
EGFR

>  <Form> (990)
Free Base

>  <CAS> (990)
153436-54-5

>  <URL> (990)
http://www.selleck.cn/products/pd153035.html

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csChFnd80/08142011082D

 19 21  0  0  0  0  0  0  0  0999 V2000
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992

>  <Formula> (991)
C15H11BrN2S

>  <MolWeight> (991)
331.23024

>  <Cat> (991)
S6579

>  <Name> (991)
RCGD423

>  <Synonyms> (991)
N/A

>  <Target> (991)
P-gp

>  <Form> (991)
Free Base

>  <CAS> (991)
108237-91-8

>  <URL> (991)
http://www.selleck.cn/products/rcgd423.html

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csChFnd80/08142011082D

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>  <Formula> (992)
C30H32ClN7O2

>  <MolWeight> (992)
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>  <Cat> (992)
S6595

>  <Name> (992)
THZ531

>  <Synonyms> (992)
N/A

>  <Target> (992)
CDK

>  <Form> (992)
Free Base

>  <CAS> (992)
1702809-17-3

>  <URL> (992)
http://www.selleck.cn/products/thz531.html

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csChFnd80/08142011082D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.5904    6.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7739    5.5994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611    7.8646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    6.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8905   10.3818    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6921    7.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    6.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    7.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1903    9.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    4.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0903    7.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7908    9.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0251    2.6580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2903   10.3818    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1904   11.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9912    9.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5850    3.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295    5.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    8.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8902    7.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0942    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3962    2.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7899    6.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1903    6.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5344    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8363    1.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  7  2  1  0  0  0  0
 10  2  1  0  0  0  0
  8  3  1  0  0  0  0
  6  4  1  0  0  0  0
  5  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  2  0  0  0  0
 11  6  1  0  0  0  0
 16  6  2  0  0  0  0
 19  7  1  0  0  0  0
  8  7  2  0  0  0  0
 20  8  1  0  0  0  0
  9 12  1  0  0  0  0
 21  9  2  0  0  0  0
 17 10  1  0  0  0  0
 12 11  2  0  0  0  0
 24 11  1  0  0  0  0
 13 17  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
 18 27  1  0  0  0  0
 18 26  1  0  0  0  0
 28 19  2  0  0  0  0
 29 20  2  0  0  0  0
 21 25  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 25 24  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (993)
994

>  <Formula> (993)
C20H21N5O4

>  <MolWeight> (993)
395.41184

>  <Cat> (993)
S6598

>  <Name> (993)
IRAK-1-4 Inhibitor I

>  <Synonyms> (993)
N/A

>  <Target> (993)
TLR

>  <Form> (993)
Free Base

>  <CAS> (993)
509093-47-4

>  <URL> (993)
http://www.selleck.cn/products/irak-1-4-inhibitor-i.html

$$$$

csChFnd80/08142011082D

 32 34  0  0  0  0  0  0  0  0999 V2000
   12.1245    0.6974    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3051   10.1698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   10.1698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    6.2986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4666    8.4565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9867    8.4654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1783    6.2916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    2.1003    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
    3.6379    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9125    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3376    4.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7239    9.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 22  1  0  0  0  0
  7 18  2  0  0  0  0
  7 25  1  0  0  0  0
  8 25  2  0  0  0  0
  8 31  1  0  0  0  0
  9 26  1  0  0  0  0
  9 31  2  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 32  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (994)
995

>  <Formula> (994)
C22H21BrCl2N6O

>  <MolWeight> (994)
536.25174

>  <Cat> (994)
S6619

>  <Name> (994)
ABT 702 dihydrochloride

>  <Synonyms> (994)
N/A

>  <Target> (994)
Adenosine Receptor

>  <Form> (994)
Dihydrochloride

>  <CAS> (994)
1188890-28-9

>  <URL> (994)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

$$$$

csChFnd80/08142011082D

 25 29  0  0  0  0  0  0  0  0999 V2000
    9.7366    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0992    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7405    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1613    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
  8 11  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 21  1  0  0  0  0
 17 21  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
 20 25  2  0  0  0  0
 19 22  2  0  0  0  0
  7 24  1  0  0  0  0
M  END
>  <Mol_ID> (995)
996

>  <Formula> (995)
C17H16N8

>  <MolWeight> (995)
332.36254

>  <Cat> (995)
S6623

>  <Name> (995)
APY29

>  <Synonyms> (995)
N/A

>  <Target> (995)
IRE1

>  <Form> (995)
Free Base

>  <CAS> (995)
1216665-49-4

>  <URL> (995)
http://www.selleck.cn/products/apy29.html

$$$$

csChFnd80/08142011082D

 28 31  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 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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   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
    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 C   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
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    7.2746    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  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
 23 24  2  0  0  0  0
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 23 25  1  0  0  0  0
 15 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 26  1  0  0  0  0
 11 27  1  0  0  0  0
  8  9  1  0  0  0  0
  5 28  1  0  0  0  0
M  END
>  <Mol_ID> (996)
997

>  <Formula> (996)
C18H13ClF2N6O

>  <MolWeight> (996)
402.7852264

>  <Cat> (996)
S6636

>  <Name> (996)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (996)
N/A

>  <Target> (996)
ROCK

>  <Form> (996)
Free Base

>  <CAS> (996)
867017-68-3

>  <URL> (996)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,002)
1003

>  <Formula> (1,002)
C22H21N5O

>  <MolWeight> (1,002)
371.43504

>  <Cat> (1,002)
S6725

>  <Name> (1,002)
PCI 29732

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
BTK

>  <Form> (1,002)
Free Base

>  <CAS> (1,002)
330786-25-9

>  <URL> (1,002)
http://www.selleck.cn/products/pci-29732.html

$$$$

csChFnd80/08142011082D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,003)
1004

>  <Formula> (1,003)
C21H23ClFNO2

>  <MolWeight> (1,003)
375.8642232

>  <Cat> (1,003)
S6727

>  <Name> (1,003)
AX-024 HCl

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
CDK

>  <Form> (1,003)
Hydrochloride

>  <CAS> (1,003)
1704801-24-0

>  <URL> (1,003)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/08142011082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 13  9  1  0  0  0  0
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  4  6  1  0  0  0  0
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 10  6  1  0  0  0  0
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 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1005

>  <Formula> (1,004)
C22H25ClN6O

>  <MolWeight> (1,004)
424.9265

>  <Cat> (1,004)
S6730

>  <Name> (1,004)
CC-401 Hydrochloride

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
JNK

>  <Form> (1,004)
Hydrochloride

>  <CAS> (1,004)
1438391-30-0

>  <URL> (1,004)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/08142011082D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,005)
1006

>  <Formula> (1,005)
C19H22Cl2FN5

>  <MolWeight> (1,005)
410.3158832

>  <Cat> (1,005)
S6734

>  <Name> (1,005)
PF-670462

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
Casein Kinase

>  <Form> (1,005)
Free Base

>  <CAS> (1,005)
950912-80-8

>  <URL> (1,005)
http://www.selleck.cn/products/pf-670462.html

$$$$

csChFnd80/08142011082D

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FGFR

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Free Base

>  <CAS> (1,012)
1448169-71-8

>  <URL> (1,012)
http://www.selleck.cn/products/tas-120.html

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1642288-47-8

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1019

>  <Formula> (1,018)
C21H25N3O4

>  <MolWeight> (1,018)
383.4409

>  <Cat> (1,018)
S2184

>  <Name> (1,018)
WDR5-0103

>  <Synonyms> (1,018)
WD-Repeat Protein 5-0103

>  <Target> (1,018)
Histone Methyltransferase

>  <Form> (1,018)
Free Base

>  <CAS> (1,018)
890190-22-4

>  <URL> (1,018)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/08142011082D

 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> (1,019)
1020

>  <Formula> (1,019)
C18H37NO2

>  <MolWeight> (1,019)
299.49188

>  <Cat> (1,019)
S2210

>  <Name> (1,019)
Sphingosine

>  <Synonyms> (1,019)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,019)
Others

>  <Form> (1,019)
Free Base

>  <CAS> (1,019)
123-78-4

>  <URL> (1,019)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/08142011082D

 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
    3.3250    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    5.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1548    5.0104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0792    3.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3699    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7819    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4803    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7802    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3775    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6759    1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3340    2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7658    1.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8285    0.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4592    0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    1.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644    3.0269    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
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  7  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 13 11  1  6  0  0  0
 10 11  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
  9 17  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  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,020)
1021

>  <Formula> (1,020)
C23H21N3O2

>  <MolWeight> (1,020)
371.43174

>  <Cat> (1,020)
S2212

>  <Name> (1,020)
AIM-100

>  <Synonyms> (1,020)
N/A

>  <Target> (1,020)
ACK

>  <Form> (1,020)
Free Base

>  <CAS> (1,020)
873305-35-2

>  <URL> (1,020)
http://www.selleck.cn/products/aim-100.html

$$$$

csChFnd80/08142011082D

 37 41  0  0  0  0  0  0  0  0999 V2000
   10.8165    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5128   11.1586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994    1.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4041    5.5464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4479   10.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9475   12.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8178   10.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3174   12.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2526   11.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430   10.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7082    9.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3383    9.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6433    8.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2087    7.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   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
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    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    6.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  2  0  0  0  0
  2 29  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 21  1  0  0  0  0
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  5 18  1  0  0  0  0
  6 29  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 22 27  1  0  0  0  0
 24 26  2  0  0  0  0
 25 28  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  2  0  0  0  0
 32 37  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 19 23  1  0  0  0  0
 22  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,021)
1022

>  <Formula> (1,021)
C31H34N4O2

>  <MolWeight> (1,021)
494.62726

>  <Cat> (1,021)
S2234

>  <Name> (1,021)
BIBF-0775

>  <Synonyms> (1,021)
N/A

>  <Target> (1,021)
TGF-beta/Smad

>  <Form> (1,021)
Free Base

>  <CAS> (1,021)
334951-90-5

>  <URL> (1,021)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0042    7.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    8.1663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    7.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    5.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7618    7.8914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2062    3.9664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0052   10.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    9.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,022)
1023

>  <Formula> (1,022)
C17H18ClN5O2

>  <MolWeight> (1,022)
359.81012

>  <Cat> (1,022)
S2249

>  <Name> (1,022)
PF 4800567

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
Casein Kinase

>  <Form> (1,022)
Free Base

>  <CAS> (1,022)
1188296-52-7

>  <URL> (1,022)
http://www.selleck.cn/products/pf-4800567.html

$$$$

csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,023)
1024

>  <Formula> (1,023)
C18H18N2O3

>  <MolWeight> (1,023)
310.34712

>  <Cat> (1,023)
S6514

>  <Name> (1,023)
SU5408

>  <Synonyms> (1,023)
VEGFR2 Kinase Inhibitor I 

>  <Target> (1,023)
VEGFR

>  <Form> (1,023)
Free Base

>  <CAS> (1,023)
15966-93-5

>  <URL> (1,023)
http://www.selleck.cn/products/su5408.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,024)
1025

>  <Formula> (1,024)
C26H21Cl3N8

>  <MolWeight> (1,024)
551.85754

>  <Cat> (1,024)
S6660

>  <Name> (1,024)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
Raf

>  <Form> (1,024)
Dihydrochloride

>  <CAS> (1,024)
1191385-19-9

>  <URL> (1,024)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/08142011082D

 38 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,025)
1026

>  <Formula> (1,025)
C26H30F3N7O2

>  <MolWeight> (1,025)
529.5573096

>  <Cat> (1,025)
S6662

>  <Name> (1,025)
AST-487

>  <Synonyms> (1,025)
N/A

>  <Target> (1,025)
FLT3

>  <Form> (1,025)
Free Base

>  <CAS> (1,025)
630124-46-8

>  <URL> (1,025)
http://www.selleck.cn/products/ast-487.html

$$$$

csChFnd80/08142011082D

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>  <Mol_ID> (1,026)
1027

>  <Formula> (1,026)
C23H19ClF2N2O3

>  <MolWeight> (1,026)
444.8583664

>  <Cat> (1,026)
S6673

>  <Name> (1,026)
CCG-222740

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
Rho

>  <Form> (1,026)
Free Base

>  <CAS> (1,026)
1922098-69-8

>  <URL> (1,026)
http://www.selleck.cn/products/ccg-222740.html

$$$$

csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
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1402608-02-9

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FGFR

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1430723-35-5

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M  END
>  <Mol_ID> (1,031)
1032

>  <Formula> (1,031)
C33H40O18

>  <MolWeight> (1,031)
724.6599

>  <Cat> (1,031)
S9096

>  <Name> (1,031)
ligustroflavone

>  <Synonyms> (1,031)
Nuezhenoside

>  <Target> (1,031)
AMPK

>  <Form> (1,031)
Free Base

>  <CAS> (1,031)
260413-62-5

>  <URL> (1,031)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,032)
1033

>  <Formula> (1,032)
C42H66O14

>  <MolWeight> (1,032)
794.96504

>  <Cat> (1,032)
S9116

>  <Name> (1,032)
Chikusetsusaponin Iva

>  <Synonyms> (1,032)
Calenduloside F

>  <Target> (1,032)
Immunology & Inflammation related

>  <Form> (1,032)
Free Base

>  <CAS> (1,032)
51415-02-2

>  <URL> (1,032)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/08142011082D

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M  END
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1034

>  <Formula> (1,033)
C42H72O13

>  <MolWeight> (1,033)
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>  <Cat> (1,033)
S9117

>  <Name> (1,033)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
Others

>  <Form> (1,033)
Free Base

>  <CAS> (1,033)
52286-74-5

>  <URL> (1,033)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,034)
1035

>  <Formula> (1,034)
C45H73NO15

>  <MolWeight> (1,034)
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>  <Cat> (1,034)
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>  <Name> (1,034)
Solamargine

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
P-gp

>  <Form> (1,034)
Free Base

>  <CAS> (1,034)
20311-51-7

>  <URL> (1,034)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/08142011082D

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M  END
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>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
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>  <Form> (1,035)
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>  <CAS> (1,035)
63902-38-5

>  <URL> (1,035)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

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csChFnd80/08142011082D

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535.5601296

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S2213

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AMG-47a

>  <Synonyms> (1,036)
N/A

>  <Target> (1,036)
Src

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Free Base

>  <CAS> (1,036)
882663-88-9

>  <URL> (1,036)
http://www.selleck.cn/products/.html

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csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
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1038

>  <Formula> (1,037)
C17H15NO3

>  <MolWeight> (1,037)
281.3059

>  <Cat> (1,037)
S2272

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>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
PDK

>  <Form> (1,037)
Free Base

>  <CAS> (1,037)
31842-01-0

>  <URL> (1,037)
http://www.selleck.cn/products/indoprofen.html

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 34 39  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (1,038)
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>  <Cat> (1,038)
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>  <Target> (1,038)
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>  <CAS> (1,038)
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>  <URL> (1,038)
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N/A

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1646839-59-9

>  <URL> (1,040)
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1891087-61-8

>  <URL> (1,041)
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1888305-96-1

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M  END
>  <Mol_ID> (1,051)
1052

>  <Formula> (1,051)
C16H13NO2

>  <MolWeight> (1,051)
251.27992

>  <Cat> (1,051)
S6809

>  <Name> (1,051)
SU5214

>  <Synonyms> (1,051)
N/A

>  <Target> (1,051)
EGFR

>  <Form> (1,051)
Free Base

>  <CAS> (1,051)
186611-04-1

>  <URL> (1,051)
http://www.selleckchem.com/products/su-5214.html

$$$$

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M  END
>  <Mol_ID> (1,052)
1053

>  <Formula> (1,052)
C32H39N7O4

>  <MolWeight> (1,052)
585.69656

>  <Cat> (1,052)
S6813

>  <Name> (1,052)
Mobocertinib (TAK788)

>  <Synonyms> (1,052)
AP32788

>  <Target> (1,052)
EGFR

>  <Form> (1,052)
Free Base

>  <CAS> (1,052)
1847461-43-1

>  <URL> (1,052)
http://www.selleckchem.com/products/tak788.html

$$$$

csChFnd80/08142011082D

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>  <Mol_ID> (1,053)
1054

>  <Formula> (1,053)
C21H18F3N5O

>  <MolWeight> (1,053)
413.3957296

>  <Cat> (1,053)
S0360

>  <Name> (1,053)
EGFR?Inhibitor

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
EGFR

>  <Form> (1,053)
Free Base

>  <CAS> (1,053)
879127-07-8

>  <URL> (1,053)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,054)
1055

>  <Formula> (1,054)
C26H34N6O3S

>  <MolWeight> (1,054)
510.65156

>  <Cat> (1,054)
S0391

>  <Name> (1,054)
TG-89

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
JAK

>  <Form> (1,054)
Free Base

>  <CAS> (1,054)
936091-56-4

>  <URL> (1,054)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/08142011082D

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>  <Mol_ID> (1,055)
1056

>  <Formula> (1,055)
C24H28N6O3S

>  <MolWeight> (1,055)
480.58252

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S0487

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Sulfatinib

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HMPL-012, Sufatinib, Surfatinib

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CSF-1R

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Free Base

>  <CAS> (1,055)
1308672-74-3

>  <URL> (1,055)
http://www.selleckchem.com/products/sulfatinib.html

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csChFnd80/08142011082D

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>  <Mol_ID> (1,056)
1057

>  <Formula> (1,056)
C20H25ClN6O3

>  <MolWeight> (1,056)
432.9039

>  <Cat> (1,056)
S0500

>  <Name> (1,056)
Purvalanol B

>  <Synonyms> (1,056)
NG 95

>  <Target> (1,056)
CDK

>  <Form> (1,056)
Free Base

>  <CAS> (1,056)
212844-54-7

>  <URL> (1,056)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

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csChFnd80/08142011082D

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>  <Mol_ID> (1,057)
1058

>  <Formula> (1,057)
C14H10BrNOS

>  <MolWeight> (1,057)
320.2043

>  <Cat> (1,057)
S0523

>  <Name> (1,057)
SB?4

>  <Synonyms> (1,057)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (1,057)
TGF-beta/Smad

>  <Form> (1,057)
Free Base

>  <CAS> (1,057)
100874-08-6

>  <URL> (1,057)
http://www.selleckchem.com/products/sb-4.html

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csChFnd80/08142011082D

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1059

>  <Formula> (1,058)
C24H26N2O3S

>  <MolWeight> (1,058)
422.53984

>  <Cat> (1,058)
S6836

>  <Name> (1,058)
TH-257

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
LIM kinase

>  <Form> (1,058)
Free Base

>  <CAS> (1,058)
2244678-29-1

>  <URL> (1,058)
http://www.selleckchem.com/products/th-257.html

$$$$

csChFnd80/08142011082D

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2097938-51-5

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CM082

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VEGFR

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1013920-15-4

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

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623142-96-1

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ALK

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909910-43-6

>  <URL> (1,062)
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S7862

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>  <Target> (1,063)
PKC

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Free Base

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82-08-6

>  <URL> (1,063)
http://www.selleckchem.com/products/rottlerin.html

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S7969

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THZ2

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N/A

>  <Target> (1,064)
CDK

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Free Base

>  <CAS> (1,064)
1604810-84-5

>  <URL> (1,064)
http://www.selleckchem.com/products/thz2.html

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csChFnd80/08142011082D

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>  <Target> (1,065)
mTOR

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>  <CAS> (1,065)
1927857-56-4

>  <URL> (1,065)
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BSJ

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CDK

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Free Base

>  <CAS> (1,066)
2361493-16-3

>  <URL> (1,066)
http://www.selleckchem.com/products/bsj-03-123.html

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csChFnd80/08142011082D

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>  <Mol_ID> (1,067)
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>  <Formula> (1,067)
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>  <MolWeight> (1,067)
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MKC8866

>  <Synonyms> (1,067)
IRE1-IN-8866

>  <Target> (1,067)
IRE1

>  <Form> (1,067)
Free Base

>  <CAS> (1,067)
1338934-59-0

>  <URL> (1,067)
http://www.selleckchem.com/products/mkc8866.html

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AY-20590
csChFnd80/08142011082D

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>  <Mol_ID> (1,068)
1069

>  <Formula> (1,068)
C16H10N2O2

>  <MolWeight> (1,068)
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>  <Cat> (1,068)
P3252

>  <Name> (1,068)
AY-20590

>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
Mcl-1,Anti-infection,PDGFR

>  <Form> (1,068)
free base

>  <CAS> (1,068)
57490-73-0

>  <URL> (1,068)
N/A

$$$$
WAY-313218
csChFnd80/08142011082D

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1070

>  <Formula> (1,069)
C19H20FNO

>  <MolWeight> (1,069)
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>  <Cat> (1,069)
P3321

>  <Name> (1,069)
WAY-313218

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
11¦Â-HSD1 

>  <Form> (1,069)
free base

>  <CAS> (1,069)
260428-69-1

>  <URL> (1,069)
N/A

$$$$
WAY-313013
csChFnd80/08142011082D

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>  <Formula> (1,070)
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>  <MolWeight> (1,070)
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>  <Cat> (1,070)
P3319

>  <Name> (1,070)
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>  <Synonyms> (1,070)
N/A

>  <Target> (1,070)
p38,histamine-3 (H3) receptor

>  <Form> (1,070)
free base

>  <CAS> (1,070)
326898-76-4

>  <URL> (1,070)
N/A

$$$$
GI-560708
csChFnd80/08142011082D

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 25 26  1  0  0  0  0
  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> (1,071)
1072

>  <Formula> (1,071)
C20H18N4O2

>  <MolWeight> (1,071)
346.38252

>  <Cat> (1,071)
P3258

>  <Name> (1,071)
GI-560708

>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
BCR-ABL 

>  <Form> (1,071)
free base

>  <CAS> (1,071)
2362-25-6

>  <URL> (1,071)
N/A

$$$$
WAY-311066
csChFnd80/08142011082D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  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
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
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 14 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  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 15 20  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,072)
1073

>  <Formula> (1,072)
C21H17N3O3

>  <MolWeight> (1,072)
359.37798

>  <Cat> (1,072)
P3314

>  <Name> (1,072)
WAY-311066

>  <Synonyms> (1,072)
N/A

>  <Target> (1,072)
Casein kinase 1¦Ä

>  <Form> (1,072)
free base

>  <CAS> (1,072)
332074-85-8

>  <URL> (1,072)
N/A

$$$$
WAY-312567
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5101    0.2860    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  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,073)
1074

>  <Formula> (1,073)
C16H20N2O2S

>  <MolWeight> (1,073)
304.4072

>  <Cat> (1,073)
P3317

>  <Name> (1,073)
WAY-312567

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
Anti-infection

>  <Form> (1,073)
free base

>  <CAS> (1,073)
330955-59-4

>  <URL> (1,073)
N/A

$$$$
WAY-312157
csChFnd80/08142011082D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,074)
1075

>  <Formula> (1,074)
C14H18N2O2S

>  <MolWeight> (1,074)
278.36992

>  <Cat> (1,074)
P3316

>  <Name> (1,074)
WAY-312157

>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
ATP-utilizing enzyme

>  <Form> (1,074)
free base

>  <CAS> (1,074)
354544-70-0

>  <URL> (1,074)
N/A

$$$$
WAY-114228
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2833    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  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  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,075)
1076

>  <Formula> (1,075)
C21H23NO

>  <MolWeight> (1,075)
305.41342

>  <Cat> (1,075)
P3264

>  <Name> (1,075)
WAY-114228

>  <Synonyms> (1,075)
N/A

>  <Target> (1,075)
MEK1

>  <Form> (1,075)
free base

>  <CAS> (1,075)
333325-96-5

>  <URL> (1,075)
N/A

$$$$
WAY-239320
csChFnd80/08142011082D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0556    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,076)
1077

>  <Formula> (1,076)
C22H21N3O4

>  <MolWeight> (1,076)
391.41984

>  <Cat> (1,076)
P3268

>  <Name> (1,076)
WAY-239320

>  <Synonyms> (1,076)
N/A

>  <Target> (1,076)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (1,076)
free base

>  <CAS> (1,076)
378775-98-5

>  <URL> (1,076)
N/A

$$$$
WAY-248134
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,077)
1078

>  <Formula> (1,077)
C10H11N3OS

>  <MolWeight> (1,077)
221.27884

>  <Cat> (1,077)
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>  <Name> (1,077)
WAY-248134

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
LIMK1£¬IKK¦Â

>  <Form> (1,077)
free base

>  <CAS> (1,077)
67795-42-0

>  <URL> (1,077)
N/A

$$$$
WAY-296817
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,078)
1079

>  <Formula> (1,078)
C17H16N2O3S

>  <MolWeight> (1,078)
328.38554

>  <Cat> (1,078)
P3296

>  <Name> (1,078)
WAY-296817

>  <Synonyms> (1,078)
N/A

>  <Target> (1,078)
casein kinase 1

>  <Form> (1,078)
free base

>  <CAS> (1,078)
349438-74-0

>  <URL> (1,078)
N/A

$$$$
WAY-296818
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,079)
1080

>  <Formula> (1,079)
C17H16N2O2S

>  <MolWeight> (1,079)
312.38614

>  <Cat> (1,079)
P3297

>  <Name> (1,079)
WAY-296818

>  <Synonyms> (1,079)
N/A

>  <Target> (1,079)
casein kinase 1

>  <Form> (1,079)
free base

>  <CAS> (1,079)
349438-77-3

>  <URL> (1,079)
N/A

$$$$
WAY-635764
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,080)
1081

>  <Formula> (1,080)
C23H31N3O5

>  <MolWeight> (1,080)
429.50934

>  <Cat> (1,080)
P3487

>  <Name> (1,080)
WAY-635764

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
Aurora kinase A

>  <Form> (1,080)
free base

>  <CAS> (1,080)
790267-88-8

>  <URL> (1,080)
N/A

$$$$
WAY-635767
csChFnd80/08142011082D

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  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
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 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
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 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> (1,081)
1082

>  <Formula> (1,081)
C12H12ClN3O

>  <MolWeight> (1,081)
249.69618

>  <Cat> (1,081)
P3488

>  <Name> (1,081)
WAY-635767

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
Aurora kinase A

>  <Form> (1,081)
free base

>  <CAS> (1,081)
790232-33-6

>  <URL> (1,081)
N/A

$$$$
WAY-654447
csChFnd80/08142011082D

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  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> (1,082)
1083

>  <Formula> (1,082)
C16H14N4O2

>  <MolWeight> (1,082)
294.30796

>  <Cat> (1,082)
P3519

>  <Name> (1,082)
WAY-654447

>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
FLT3,Androgen Receptor

>  <Form> (1,082)
free base

>  <CAS> (1,082)
852304-07-5

>  <URL> (1,082)
N/A

$$$$
CL-16859
csChFnd80/08142011082D

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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
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 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> (1,083)
1084

>  <Formula> (1,083)
C14H20N2O2

>  <MolWeight> (1,083)
248.3208

>  <Cat> (1,083)
P3254

>  <Name> (1,083)
CL-16859

>  <Synonyms> (1,083)
N/A

>  <Target> (1,083)
Anti-infection 

>  <Form> (1,083)
free base

>  <CAS> (1,083)
438025-86-6

>  <URL> (1,083)
N/A

$$$$
WAY-320706
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  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
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 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> (1,084)
1085

>  <Formula> (1,084)
C13H11ClN6OS2

>  <MolWeight> (1,084)
366.84904

>  <Cat> (1,084)
P3328

>  <Name> (1,084)
WAY-320706

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
Anti-infection, ATOH-1

>  <Form> (1,084)
free base

>  <CAS> (1,084)
370092-42-5

>  <URL> (1,084)
N/A

$$$$
WAY-652435
csChFnd80/08142011082D

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   -1.8000   -1.5125    0.0000 C   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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
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 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
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  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,085)
1086

>  <Formula> (1,085)
C9H15N3O

>  <MolWeight> (1,085)
181.2349

>  <Cat> (1,085)
P3514

>  <Name> (1,085)
WAY-652435

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,085)
free base

>  <CAS> (1,085)
173850-51-6

>  <URL> (1,085)
N/A

$$$$
WAY-652509
csChFnd80/08142011082D

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   10.0143    7.8878    0.0000 N   0  0  0  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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 14 13  1  0  0  0  0
  3  9  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,086)
1087

>  <Formula> (1,086)
C15H12ClN3

>  <MolWeight> (1,086)
269.72888

>  <Cat> (1,086)
P3515

>  <Name> (1,086)
WAY-652509

>  <Synonyms> (1,086)
N/A

>  <Target> (1,086)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,086)
free base

>  <CAS> (1,086)
854355-54-7

>  <URL> (1,086)
N/A

$$$$
WAY-652641
csChFnd80/08142011082D

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  2  1  1  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  4  1  0  0  0  0
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  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,087)
1088

>  <Formula> (1,087)
C9H14N2O3

>  <MolWeight> (1,087)
198.21906

>  <Cat> (1,087)
P3516

>  <Name> (1,087)
WAY-652641

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
CDK

>  <Form> (1,087)
free base

>  <CAS> (1,087)
852851-73-1

>  <URL> (1,087)
N/A

$$$$
WAY-652848
csChFnd80/08142011082D

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WAY-652848

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N/A

>  <Target> (1,088)
SRPK kinase 

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free base

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848057-98-7

>  <URL> (1,088)
N/A

$$$$
WAY-653005
csChFnd80/08142011082D

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WAY-653005

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
others

>  <Form> (1,089)
free base

>  <CAS> (1,089)
74190-66-2

>  <URL> (1,089)
N/A

$$$$
WAY-271413
csChFnd80/08142011082D

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>  <Mol_ID> (1,090)
1091

>  <Formula> (1,090)
C20H15N3O4S

>  <MolWeight> (1,090)
393.4158

>  <Cat> (1,090)
P3282

>  <Name> (1,090)
WAY-271413

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
GSK-3¦Â

>  <Form> (1,090)
free base

>  <CAS> (1,090)
536731-65-4

>  <URL> (1,090)
N/A

$$$$
WAY-271999
csChFnd80/08142011082D

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>  <Mol_ID> (1,091)
1092

>  <Formula> (1,091)
C11H7ClN2O3

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250.63788

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P3283

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WAY-271999

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
c-Met

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free base

>  <CAS> (1,091)
147920-34-1

>  <URL> (1,091)
N/A

$$$$
WAY-272077
csChFnd80/08142011082D

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>  <Mol_ID> (1,092)
1093

>  <Formula> (1,092)
C14H14N2O3S

>  <MolWeight> (1,092)
290.33756

>  <Cat> (1,092)
P3284

>  <Name> (1,092)
WAY-272077

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
sphingosine kinase

>  <Form> (1,092)
free base

>  <CAS> (1,092)
1415662-57-5

>  <URL> (1,092)
N/A

$$$$
WAY-272130
csChFnd80/08142011082D

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FGFR1

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free base

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442534-83-0

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N/A

$$$$
WAY-272324
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,094)
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>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
 PI3K

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free base

>  <CAS> (1,094)
900515-01-7

>  <URL> (1,094)
N/A

$$$$
WAY-272449
csChFnd80/08142011082D

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M  END
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1096

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>  <Name> (1,095)
WAY-272449

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
FGFR1

>  <Form> (1,095)
free base

>  <CAS> (1,095)
670266-26-9

>  <URL> (1,095)
N/A

$$$$
WAY-272589
csChFnd80/08142011082D

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M  END
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1097

>  <Formula> (1,096)
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>  <MolWeight> (1,096)
345.4392

>  <Cat> (1,096)
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>  <Name> (1,096)
WAY-272589

>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
pin1

>  <Form> (1,096)
free base

>  <CAS> (1,096)
637325-53-2

>  <URL> (1,096)
N/A

$$$$
WAY-320008
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,097)
1098

>  <Formula> (1,097)
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>  <MolWeight> (1,097)
312.36784

>  <Cat> (1,097)
P3322

>  <Name> (1,097)
WAY-320008

>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
tropomyosin-related kinase a

>  <Form> (1,097)
free base

>  <CAS> (1,097)
128889-33-8

>  <URL> (1,097)
N/A

$$$$
WAY-320426
csChFnd80/08142011082D

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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> (1,098)
1099

>  <Formula> (1,098)
C14H14ClN3O2

>  <MolWeight> (1,098)
291.73286

>  <Cat> (1,098)
P3326

>  <Name> (1,098)
WAY-320426

>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
Anti-infection

>  <Form> (1,098)
free base

>  <CAS> (1,098)
312601-47-1

>  <URL> (1,098)
N/A

$$$$
WAY-320509
csChFnd80/08142011082D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2928   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2928   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2486   -2.0448    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
  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
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  9 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
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 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> (1,099)
1100

>  <Formula> (1,099)
C18H17N3O2S

>  <MolWeight> (1,099)
339.41148

>  <Cat> (1,099)
P3327

>  <Name> (1,099)
WAY-320509

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
Anti-infection,CDK8

>  <Form> (1,099)
free base

>  <CAS> (1,099)
314035-54-6

>  <URL> (1,099)
N/A

$$$$
WAY-320049
csChFnd80/08142011082D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.5509    0.1569    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5268   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7284    1.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560    2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9854    0.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3973    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042    0.1569    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
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 17  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,100)
1101

>  <Formula> (1,100)
C13H17NO3S

>  <MolWeight> (1,100)
267.34398

>  <Cat> (1,100)
P3323

>  <Name> (1,100)
WAY-320049

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
others

>  <Form> (1,100)
free base

>  <CAS> (1,100)
298193-11-0

>  <URL> (1,100)
N/A

$$$$
WAY-320080
csChFnd80/08142011082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -2.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -2.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311   -2.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    1.2236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9276    1.2236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5689    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5862    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758   -0.2660    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  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
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 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> (1,101)
1102

>  <Formula> (1,101)
C14H13N3O2S

>  <MolWeight> (1,101)
287.33692

>  <Cat> (1,101)
P3324

>  <Name> (1,101)
WAY-320080

>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
glucokinase,heat shock protein 90

>  <Form> (1,101)
free base

>  <CAS> (1,101)
349549-38-8

>  <URL> (1,101)
N/A

$$$$
WAY-320081
csChFnd80/08142011082D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8747   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2781   -2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8023    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    0.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5943    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3333    1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4805    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495    1.5555    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  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
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 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> (1,102)
1103

>  <Formula> (1,102)
C14H13N3O2S

>  <MolWeight> (1,102)
287.33692

>  <Cat> (1,102)
P3325

>  <Name> (1,102)
WAY-320081

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
glucokinase,heat shock protein 90

>  <Form> (1,102)
free base

>  <CAS> (1,102)
66780-67-4

>  <URL> (1,102)
N/A

$$$$
WAY-602219
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3917    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    0.6833    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  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 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> (1,103)
1104

>  <Formula> (1,103)
C14H12N2O3S2

>  <MolWeight> (1,103)
320.38668

>  <Cat> (1,103)
P3430

>  <Name> (1,103)
WAY-602219

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
Trypanosoma brucei hexokinase 

>  <Form> (1,103)
free base

>  <CAS> (1,103)
378197-09-2

>  <URL> (1,103)
N/A

$$$$
WAY-602746
csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,104)
1105

>  <Formula> (1,104)
C20H16N4O

>  <MolWeight> (1,104)
328.36724

>  <Cat> (1,104)
P3431

>  <Name> (1,104)
WAY-602746

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
ROS 

>  <Form> (1,104)
free base

>  <CAS> (1,104)
370096-57-4

>  <URL> (1,104)
N/A

$$$$
WAY-603264
csChFnd80/08142011082D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,105)
1106

>  <Formula> (1,105)
C8H12N2OS

>  <MolWeight> (1,105)
184.25868

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P3432

>  <Name> (1,105)
WAY-603264

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
adenosine kinase

>  <Form> (1,105)
free base

>  <CAS> (1,105)
58350-40-6

>  <URL> (1,105)
N/A

$$$$
WAY-603359
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,106)
1107

>  <Formula> (1,106)
C10H12ClN3O2

>  <MolWeight> (1,106)
241.67418

>  <Cat> (1,106)
P3433

>  <Name> (1,106)
WAY-603359

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
p38

>  <Form> (1,106)
free base

>  <CAS> (1,106)
329268-90-8

>  <URL> (1,106)
N/A

$$$$
WAY-634931
csChFnd80/08142011082D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,107)
1108

>  <Formula> (1,107)
C10H14O2

>  <MolWeight> (1,107)
166.21696

>  <Cat> (1,107)
P3482

>  <Name> (1,107)
WAY-634931

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,107)
free base

>  <CAS> (1,107)
82683-51-0

>  <URL> (1,107)
N/A

$$$$
WAY-634964
csChFnd80/08142011082D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,108)
1109

>  <Formula> (1,108)
C9H7N3O2

>  <MolWeight> (1,108)
189.17078

>  <Cat> (1,108)
P3483

>  <Name> (1,108)
WAY-634964

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
tyrosine kinase

>  <Form> (1,108)
free base

>  <CAS> (1,108)
157842-34-7

>  <URL> (1,108)
N/A

$$$$
WAY-634704
csChFnd80/08142011082D

 22 23  0  0  0  0  0  0  0  0999 V2000
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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> (1,109)
1110

>  <Formula> (1,109)
C13H13ClN2O5S

>  <MolWeight> (1,109)
344.77072

>  <Cat> (1,109)
P3481

>  <Name> (1,109)
WAY-634704

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
Aurora kinase A

>  <Form> (1,109)
free base

>  <CAS> (1,109)
781619-26-9

>  <URL> (1,109)
N/A

$$$$
WAY-635109
csChFnd80/08142011082D

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WAY-635114
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N/A

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WAY-635319
csChFnd80/08142011082D

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free base

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N/A

$$$$
WAY-311677
csChFnd80/08142011082D

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N/A

$$$$
CL-243214
csChFnd80/08142011082D

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free base

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333785-55-0

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N/A

$$$$
WAY-312187
csChFnd80/08142011082D

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N/A

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free base

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1609385-99-0

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N/A

$$$$
WAY-230563
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M  END
>  <Mol_ID> (1,116)
1117

>  <Formula> (1,116)
C17H12N2O2S

>  <MolWeight> (1,116)
308.35438

>  <Cat> (1,116)
P3758

>  <Name> (1,116)
WAY-230563

>  <Synonyms> (1,116)
N/A

>  <Target> (1,116)
serine/threonine kinase

>  <Form> (1,116)
free base

>  <CAS> (1,116)
93326-70-6

>  <URL> (1,116)
N/A

$$$$
WAY-235142
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,117)
1118

>  <Formula> (1,117)
C17H18N2O

>  <MolWeight> (1,117)
266.33762

>  <Cat> (1,117)
P3701

>  <Name> (1,117)
WAY-235142

>  <Synonyms> (1,117)
N/A

>  <Target> (1,117)
MtSk

>  <Form> (1,117)
free base

>  <CAS> (1,117)
380550-28-7

>  <URL> (1,117)
N/A

$$$$
WAY-311747
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,118)
1119

>  <Formula> (1,118)
C16H21N3O2

>  <MolWeight> (1,118)
287.35684

>  <Cat> (1,118)
P3732

>  <Name> (1,118)
WAY-311747

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
MtSk

>  <Form> (1,118)
free base

>  <CAS> (1,118)
381671-40-5

>  <URL> (1,118)
N/A

$$$$
WAY-312484
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,119)
1120

>  <Formula> (1,119)
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>  <MolWeight> (1,119)
255.27522

>  <Cat> (1,119)
P3700

>  <Name> (1,119)
WAY-312484

>  <Synonyms> (1,119)
N/A

>  <Target> (1,119)
EGFR

>  <Form> (1,119)
free base

>  <CAS> (1,119)
91769-08-3

>  <URL> (1,119)
N/A

$$$$
WAY-311753-A
csChFnd80/08142011082D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,120)
1121

>  <Formula> (1,120)
C16H15N3OS

>  <MolWeight> (1,120)
297.3748

>  <Cat> (1,120)
P3757

>  <Name> (1,120)
WAY-311753-A

>  <Synonyms> (1,120)
N/A

>  <Target> (1,120)
tyrosine kinase

>  <Form> (1,120)
free base

>  <CAS> (1,120)
345615-74-9

>  <URL> (1,120)
N/A

$$$$
WAY-310586-A
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,121)
1122

>  <Formula> (1,121)
C16H16N4OS2

>  <MolWeight> (1,121)
344.45444

>  <Cat> (1,121)
P3777

>  <Name> (1,121)
WAY-310586-A

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
TAOK2

>  <Form> (1,121)
free base

>  <CAS> (1,121)
315705-95-4

>  <URL> (1,121)
N/A

$$$$
WAY-115880
csChFnd80/08142011082D

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1123

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WAY-115880

>  <Synonyms> (1,122)
N/A

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FLT3

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free base

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142995-02-6

>  <URL> (1,122)
N/A

$$$$
WAY-297848
csChFnd80/08142011082D

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>  <Mol_ID> (1,123)
1124

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WAY-297848

>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
glucokinase

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free base

>  <CAS> (1,123)
404360-27-6

>  <URL> (1,123)
N/A

$$$$
GI-568769
csChFnd80/08142011082D

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>  <Mol_ID> (1,124)
1125

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>  <Cat> (1,124)
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>  <Name> (1,124)
GI-568769

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
p90 Ribosomal S6 Protein Kinase 2

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free base

>  <CAS> (1,124)
62001-32-5

>  <URL> (1,124)
N/A

$$$$
WAY-298129
csChFnd80/08142011082D

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>  <Mol_ID> (1,125)
1126

>  <Formula> (1,125)
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>  <MolWeight> (1,125)
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>  <Cat> (1,125)
P3688

>  <Name> (1,125)
WAY-298129

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (1,125)
free base

>  <CAS> (1,125)
719277-26-6

>  <URL> (1,125)
N/A

$$$$
WAY-299338
csChFnd80/08142011082D

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1127

>  <Formula> (1,126)
C17H16N2O3S

>  <MolWeight> (1,126)
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>  <Cat> (1,126)
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>  <Name> (1,126)
WAY-299338

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
PDK1

>  <Form> (1,126)
free base

>  <CAS> (1,126)
1005044-23-4

>  <URL> (1,126)
N/A

$$$$
WAY-322454
csChFnd80/08142011082D

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GRK6

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1008244-02-7

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WAY-119064
csChFnd80/08142011082D

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WAY-119064

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INK4C

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1198098-03-1

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N/A

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WAY-215718
csChFnd80/08142011082D

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WAY-215718

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5-HT Receptor,pp6othersc-Src tyrosine kinase

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free base

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128175-06-4

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N/A

$$$$
WAY-300046
csChFnd80/08142011082D

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>  <Name> (1,130)
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>  <Synonyms> (1,130)
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LtaS,herpes simplex viruses thymidine kinase

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free base

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41648-10-6

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N/A

$$$$
WAY-300063
csChFnd80/08142011082D

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>  <Name> (1,131)
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Tropomyosin-Related Kinase A,ATP-binding cas

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free base

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296888-45-4

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N/A

$$$$
WAY-299819
csChFnd80/08142011082D

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>  <Mol_ID> (1,132)
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>  <Synonyms> (1,132)
N/A

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p38 MAPK,c-Jun-N-Terminal Kinase

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free base

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346663-56-7

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N/A

$$$$
WAY-300700
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,133)
1134

>  <Formula> (1,133)
C19H22N2O2

>  <MolWeight> (1,133)
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>  <Cat> (1,133)
P3751

>  <Name> (1,133)
WAY-300700

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
HIV-1

>  <Form> (1,133)
free base

>  <CAS> (1,133)
428853-17-2

>  <URL> (1,133)
N/A

$$$$
WAY-300744
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,134)
1135

>  <Formula> (1,134)
C14H12Cl2N2O2S

>  <MolWeight> (1,134)
343.22828

>  <Cat> (1,134)
P3773

>  <Name> (1,134)
WAY-300744

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
kinase

>  <Form> (1,134)
free base

>  <CAS> (1,134)
314284-06-5

>  <URL> (1,134)
N/A

$$$$
WAY-301205
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,135)
1136

>  <Formula> (1,135)
C16H20N2O2S2

>  <MolWeight> (1,135)
336.4722

>  <Cat> (1,135)
P3772

>  <Name> (1,135)
WAY-301205

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,135)
free base

>  <CAS> (1,135)
330181-93-6

>  <URL> (1,135)
N/A

$$$$
WAY-301300
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,136)
1137

>  <Formula> (1,136)
C16H17NO4

>  <MolWeight> (1,136)
287.31048

>  <Cat> (1,136)
P3726

>  <Name> (1,136)
WAY-301300

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (1,136)
free base

>  <CAS> (1,136)
935279-95-1

>  <URL> (1,136)
N/A

$$$$
WAY-301398
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,137)
1138

>  <Formula> (1,137)
C16H13FO4

>  <MolWeight> (1,137)
288.2704232

>  <Cat> (1,137)
P3750

>  <Name> (1,137)
WAY-301398

>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (1,137)
free base

>  <CAS> (1,137)
312607-68-4

>  <URL> (1,137)
N/A

$$$$
WAY-301503
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,138)
1139

>  <Formula> (1,138)
C14H9N3O4S

>  <MolWeight> (1,138)
315.30396

>  <Cat> (1,138)
P3748

>  <Name> (1,138)
WAY-301503

>  <Synonyms> (1,138)
N/A

>  <Target> (1,138)
CDK2

>  <Form> (1,138)
free base

>  <CAS> (1,138)
313530-30-2

>  <URL> (1,138)
N/A

$$$$
WAY-118985
csChFnd80/08142011082D

 19 21  0  0  0  0  0  0  0  0999 V2000
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WAY-302888
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WAY-303290
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WAY-303292
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WAY-304800-A
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Casein kinase 1¦Ä

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free base

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345616-08-2

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N/A

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WAY-305025
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WAY-383487
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N/A

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WAY-232261
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WAY-340245
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WAY-340935
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WAY-340935

>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
VEGFR2 kinase

>  <Form> (1,150)
free base

>  <CAS> (1,150)
737818-56-3

>  <URL> (1,150)
N/A

$$$$
WAY-341085
csChFnd80/08142011082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,151)
1152

>  <Formula> (1,151)
C19H16N2O3S

>  <MolWeight> (1,151)
352.40694

>  <Cat> (1,151)
P3769

>  <Name> (1,151)
WAY-341085

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
Kinase

>  <Form> (1,151)
free base

>  <CAS> (1,151)
383380-01-6

>  <URL> (1,151)
N/A

$$$$
WAY-346658
csChFnd80/08142011082D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,152)
1153

>  <Formula> (1,152)
C13H11ClN2O2S

>  <MolWeight> (1,152)
294.75664

>  <Cat> (1,152)
P3715

>  <Name> (1,152)
WAY-346658

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
c-Jun N-terminal kinase

>  <Form> (1,152)
free base

>  <CAS> (1,152)
381714-44-9

>  <URL> (1,152)
N/A

$$$$
WAY-350471
csChFnd80/08142011082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,153)
1154

>  <Formula> (1,153)
C14H18N4OS

>  <MolWeight> (1,153)
290.38392

>  <Cat> (1,153)
P3714

>  <Name> (1,153)
WAY-350471

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
IRAK

>  <Form> (1,153)
free base

>  <CAS> (1,153)
785705-53-5

>  <URL> (1,153)
N/A

$$$$
WAY-352563
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,154)
1155

>  <Formula> (1,154)
C18H14O4

>  <MolWeight> (1,154)
294.30136

>  <Cat> (1,154)
P3743

>  <Name> (1,154)
WAY-352563

>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
CDK

>  <Form> (1,154)
free base

>  <CAS> (1,154)
505051-04-7

>  <URL> (1,154)
N/A

$$$$
GI-505946
csChFnd80/08142011082D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,155)
1156

>  <Formula> (1,155)
C12H9Cl2N3O

>  <MolWeight> (1,155)
282.12536

>  <Cat> (1,155)
P3713

>  <Name> (1,155)
GI-505946

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
p38

>  <Form> (1,155)
free base

>  <CAS> (1,155)
13142-47-7

>  <URL> (1,155)
N/A

$$$$
WAY-354896
csChFnd80/08142011082D

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136498-37-8

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WAY-380496
csChFnd80/08142011082D

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304000-05-3

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N/A

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WAY-381332
csChFnd80/08142011082D

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380163-63-3

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N/A

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WAY-332656
csChFnd80/08142011082D

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Protein kinase C epsilon signaling

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904458-98-6

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N/A

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WAY-333175
csChFnd80/08142011082D

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75620-25-6

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WAY-333184
csChFnd80/08142011082D

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free base

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863004-48-2

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N/A

$$$$
WAY-643018
csChFnd80/08142011082D

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M  END
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CDK

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free base

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677701-62-1

>  <URL> (1,162)
N/A

$$$$
WAY-332616
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,163)
1164

>  <Formula> (1,163)
C16H15NO3S

>  <MolWeight> (1,163)
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P3708

>  <Name> (1,163)
WAY-332616

>  <Synonyms> (1,163)
N/A

>  <Target> (1,163)
pyruvate kinase

>  <Form> (1,163)
free base

>  <CAS> (1,163)
904457-46-1

>  <URL> (1,163)
N/A

$$$$
WAY-332647
csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,164)
1165

>  <Formula> (1,164)
C19H21NO3S

>  <MolWeight> (1,164)
343.43994

>  <Cat> (1,164)
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>  <Name> (1,164)
WAY-332647

>  <Synonyms> (1,164)
N/A

>  <Target> (1,164)
pyruvate kinase

>  <Form> (1,164)
free base

>  <CAS> (1,164)
902516-53-4

>  <URL> (1,164)
N/A

$$$$
WAY-624704
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,165)
1166

>  <Formula> (1,165)
C17H15N3O2S

>  <MolWeight> (1,165)
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>  <Cat> (1,165)
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>  <Name> (1,165)
WAY-624704

>  <Synonyms> (1,165)
N/A

>  <Target> (1,165)
ROCK

>  <Form> (1,165)
free base

>  <CAS> (1,165)
692869-38-8

>  <URL> (1,165)
N/A

$$$$
WAY-625135
csChFnd80/08142011082D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 16  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,166)
1167

>  <Formula> (1,166)
C14H12N2O3S

>  <MolWeight> (1,166)
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>  <Cat> (1,166)
P3707

>  <Name> (1,166)
WAY-625135

>  <Synonyms> (1,166)
N/A

>  <Target> (1,166)
Casein kinase 1¦Ä

>  <Form> (1,166)
free base

>  <CAS> (1,166)
756865-45-9

>  <URL> (1,166)
N/A

$$$$
WAY-626309
csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,167)
1168

>  <Formula> (1,167)
C19H16N2O2S

>  <MolWeight> (1,167)
336.40754

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P3765

>  <Name> (1,167)
WAY-626309

>  <Synonyms> (1,167)
N/A

>  <Target> (1,167)
c-Jun N-terminal kinase

>  <Form> (1,167)
free base

>  <CAS> (1,167)
756849-36-2

>  <URL> (1,167)
N/A

$$$$
WAY-646458
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,168)
1169

>  <Formula> (1,168)
C16H10N2O2

>  <MolWeight> (1,168)
262.2628

>  <Cat> (1,168)
P3706

>  <Name> (1,168)
WAY-646458

>  <Synonyms> (1,168)
N/A

>  <Target> (1,168)
Casein kinase 1d

>  <Form> (1,168)
free base

>  <CAS> (1,168)
852413-92-4

>  <URL> (1,168)
N/A

$$$$
WAY-313318
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,169)
1170

>  <Formula> (1,169)
C13H10Cl2N4

>  <MolWeight> (1,169)
293.1513

>  <Cat> (1,169)
P3734

>  <Name> (1,169)
WAY-313318

>  <Synonyms> (1,169)
N/A

>  <Target> (1,169)
RSK2

>  <Form> (1,169)
free base

>  <CAS> (1,169)
351993-88-9

>  <URL> (1,169)
N/A

$$$$
WAY-239448
csChFnd80/08142011082D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,170)
1171

>  <Formula> (1,170)
C11H12N2S2

>  <MolWeight> (1,170)
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>  <Cat> (1,170)
P3683

>  <Name> (1,170)
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>  <Synonyms> (1,170)
N/A

>  <Target> (1,170)
CK2,Anti-infection

>  <Form> (1,170)
free base

>  <CAS> (1,170)
314260-78-1

>  <URL> (1,170)
N/A

$$$$
WAY-299562
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,171)
1172

>  <Formula> (1,171)
C16H13NO3

>  <MolWeight> (1,171)
267.27932

>  <Cat> (1,171)
P3698

>  <Name> (1,171)
WAY-299562

>  <Synonyms> (1,171)
N/A

>  <Target> (1,171)
PKA,AKAP

>  <Form> (1,171)
free base

>  <CAS> (1,171)
299934-88-6

>  <URL> (1,171)
N/A

$$$$
WAY-300507
csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,172)
1173

>  <Formula> (1,172)
C18H15NO3S2

>  <MolWeight> (1,172)
357.4466

>  <Cat> (1,172)
P3774

>  <Name> (1,172)
WAY-300507

>  <Synonyms> (1,172)
N/A

>  <Target> (1,172)
beta-catenin,MKK4

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free base

>  <CAS> (1,172)
301688-74-4

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N/A

$$$$
WAY-301524-A
csChFnd80/08142011082D

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>  <Synonyms> (1,173)
N/A

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CK2

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free base

>  <CAS> (1,173)
474263-21-3

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N/A

$$$$
WAY-301527
csChFnd80/08142011082D

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>  <Name> (1,174)
WAY-301527

>  <Synonyms> (1,174)
N/A

>  <Target> (1,174)
Casein Kinase

>  <Form> (1,174)
free base

>  <CAS> (1,174)
315682-22-5

>  <URL> (1,174)
N/A

$$$$
WAY-388756
csChFnd80/08142011082D

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>  <Synonyms> (1,175)
N/A

>  <Target> (1,175)
IKKb

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free base

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243669-62-7

>  <URL> (1,175)
N/A

$$$$
WAY-310410
csChFnd80/08142011082D

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LIMK1

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free base

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332904-10-6

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N/A

$$$$
WAY-297152
csChFnd80/08142011082D

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MtSk

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free base

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397878-17-0

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N/A

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WAY-297174
csChFnd80/08142011082D

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free base

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442571-27-9

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N/A

$$$$
WAY-297674
csChFnd80/08142011082D

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CK2

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free base

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313985-59-0

>  <URL> (1,179)
N/A

$$$$
WAY-298630
csChFnd80/08142011082D

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M  END
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1181

>  <Formula> (1,180)
C17H15FN2O3S

>  <MolWeight> (1,180)
346.3760032

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>  <Name> (1,180)
WAY-298630

>  <Synonyms> (1,180)
N/A

>  <Target> (1,180)
PDK1

>  <Form> (1,180)
free base

>  <CAS> (1,180)
303134-93-2

>  <URL> (1,180)
N/A

$$$$
WAY-299017
csChFnd80/08142011082D

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M  END
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1182

>  <Formula> (1,181)
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>  <MolWeight> (1,181)
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>  <Cat> (1,181)
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>  <Name> (1,181)
WAY-299017

>  <Synonyms> (1,181)
N/A

>  <Target> (1,181)
PI3Ka

>  <Form> (1,181)
free base

>  <CAS> (1,181)
300803-79-6

>  <URL> (1,181)
N/A

$$$$
WAY-299359
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,182)
1183

>  <Formula> (1,182)
C14H18N2O3S

>  <MolWeight> (1,182)
294.36932

>  <Cat> (1,182)
P3729

>  <Name> (1,182)
WAY-299359

>  <Synonyms> (1,182)
N/A

>  <Target> (1,182)
FLT3, Tubulin

>  <Form> (1,182)
free base

>  <CAS> (1,182)
1005057-81-7

>  <URL> (1,182)
N/A

$$$$
WAY-117443
csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,183)
1184

>  <Formula> (1,183)
C19H18O5

>  <MolWeight> (1,183)
326.34322

>  <Cat> (1,183)
P3752

>  <Name> (1,183)
WAY-117443

>  <Synonyms> (1,183)
N/A

>  <Target> (1,183)
GRK6,DOPA decarboxylase

>  <Form> (1,183)
free base

>  <CAS> (1,183)
1164562-43-9

>  <URL> (1,183)
N/A

$$$$
WAY-304191
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,184)
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WAY-304191

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N/A

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FLT3 receptor

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free base

>  <CAS> (1,184)
510724-22-8

>  <URL> (1,184)
N/A

$$$$
WAY-226683
csChFnd80/08142011082D

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>  <Mol_ID> (1,185)
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WAY-226683

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
Rho

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free base

>  <CAS> (1,185)
309736-94-5

>  <URL> (1,185)
N/A

$$$$
WAY-306955
csChFnd80/08142011082D

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>  <Mol_ID> (1,186)
1187

>  <Formula> (1,186)
C17H14N4S

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>  <Cat> (1,186)
P3770

>  <Name> (1,186)
WAY-306955

>  <Synonyms> (1,186)
N/A

>  <Target> (1,186)
p38a MAPK

>  <Form> (1,186)
free base

>  <CAS> (1,186)
315703-48-1

>  <URL> (1,186)
N/A

$$$$
WAY-380153
csChFnd80/08142011082D

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>  <Mol_ID> (1,187)
1188

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>  <MolWeight> (1,187)
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WAY-380153

>  <Synonyms> (1,187)
N/A

>  <Target> (1,187)
FKBP12 

>  <Form> (1,187)
free base

>  <CAS> (1,187)
363160-12-7

>  <URL> (1,187)
N/A

$$$$
WAY-311474
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,188)
1189

>  <Formula> (1,188)
C13H14N4OS

>  <MolWeight> (1,188)
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>  <Cat> (1,188)
P3711

>  <Name> (1,188)
WAY-311474

>  <Synonyms> (1,188)
N/A

>  <Target> (1,188)
MtSk

>  <Form> (1,188)
free base

>  <CAS> (1,188)
569313-77-5

>  <URL> (1,188)
N/A

$$$$
WAY-312858
csChFnd80/08142011082D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,189)
1190

>  <Formula> (1,189)
C17H19NO3S2

>  <MolWeight> (1,189)
349.46766

>  <Cat> (1,189)
P3740

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N/A

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WAY-337532
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free base

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332939-49-8

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N/A

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WAY-628644
csChFnd80/08142011082D

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N/A

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WAY-270250
csChFnd80/08142011082D

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852367-46-5

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N/A

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WAY-270252
csChFnd80/08142011082D

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WAY-615145
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N/A

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WAY-613982
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M  END
>  <Mol_ID> (1,201)
1202

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C11H12N2OS2

>  <MolWeight> (1,201)
252.35578

>  <Cat> (1,201)
P3686

>  <Name> (1,201)
WAY-613982

>  <Synonyms> (1,201)
N/A

>  <Target> (1,201)
CK2

>  <Form> (1,201)
free base

>  <CAS> (1,201)
330449-39-3

>  <URL> (1,201)
N/A

$$$$
WAY-650334
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,202)
1203

>  <Formula> (1,202)
C12H12N2O3

>  <MolWeight> (1,202)
232.23528

>  <Cat> (1,202)
P3681

>  <Name> (1,202)
WAY-650334

>  <Synonyms> (1,202)
N/A

>  <Target> (1,202)
MAP2K4

>  <Form> (1,202)
free base

>  <CAS> (1,202)
847773-02-8

>  <URL> (1,202)
N/A

$$$$
GI-570482
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,203)
1204

>  <Formula> (1,203)
C13H14N2O3S

>  <MolWeight> (1,203)
278.32686

>  <Cat> (1,203)
P3703

>  <Name> (1,203)
GI-570482

>  <Synonyms> (1,203)
N/A

>  <Target> (1,203)
ExoS ADPRT,MET,USP14

>  <Form> (1,203)
free base

>  <CAS> (1,203)
109164-47-8

>  <URL> (1,203)
N/A

$$$$
WAY-272160
csChFnd80/08142011082D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,204)
1205

>  <Formula> (1,204)
C18H13ClN2O3

>  <MolWeight> (1,204)
340.76042

>  <Cat> (1,204)
P3737

>  <Name> (1,204)
WAY-272160

>  <Synonyms> (1,204)
N/A

>  <Target> (1,204)
 topoisomerase II,HER2

>  <Form> (1,204)
free base

>  <CAS> (1,204)
489413-54-9

>  <URL> (1,204)
N/A

$$$$
WAY-320461
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,205)
1206

>  <Formula> (1,205)
C15H10BrN3O2S

>  <MolWeight> (1,205)
376.2278

>  <Cat> (1,205)
P3760

>  <Name> (1,205)
WAY-320461

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
FAK

>  <Form> (1,205)
free base

>  <CAS> (1,205)
491839-65-7

>  <URL> (1,205)
N/A

$$$$
WAY-603392
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,206)
1207

>  <Formula> (1,206)
C11H16N2O3S

>  <MolWeight> (1,206)
256.32134

>  <Cat> (1,206)
P3685

>  <Name> (1,206)
WAY-603392

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
AKT(PKB) phosphorylation,ion channel

>  <Form> (1,206)
free base

>  <CAS> (1,206)
329906-01-6

>  <URL> (1,206)
N/A

$$$$
WAY-321341
csChFnd80/08142011082D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,207)
1208

>  <Formula> (1,207)
C24H22N4O

>  <MolWeight> (1,207)
382.45768

>  <Cat> (1,207)
P3759

>  <Name> (1,207)
WAY-321341

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
SYK,Immunology & Inflammation related

>  <Form> (1,207)
free base

>  <CAS> (1,207)
314027-66-2

>  <URL> (1,207)
N/A

$$$$
WAY-322243
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,208)
1209

>  <Formula> (1,208)
C18H18N2O2S

>  <MolWeight> (1,208)
326.41272

>  <Cat> (1,208)
P3736

>  <Name> (1,208)
WAY-322243

>  <Synonyms> (1,208)
N/A

>  <Target> (1,208)
CLK-1

>  <Form> (1,208)
free base

>  <CAS> (1,208)
332939-32-9

>  <URL> (1,208)
N/A

$$$$
WAY-320774
csChFnd80/08142011082D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 12  8  1  0  0  0  0
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 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
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  7  5  2  0  0  0  0
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 23 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,209)
1210

>  <Formula> (1,209)
C19H16N4O2S

>  <MolWeight> (1,209)
364.42094

>  <Cat> (1,209)
P3329

>  <Name> (1,209)
WAY-320774

>  <Synonyms> (1,209)
N/A

>  <Target> (1,209)
Kanamycin Resistance Enzyme Eis

>  <Form> (1,209)
free base

>  <CAS> (1,209)
425653-38-9

>  <URL> (1,209)
N/A

$$$$
WAY-320951
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  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
  7 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
 13 15  2  0  0  0  0
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 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,210)
1211

>  <Formula> (1,210)
C14H11N3O4S

>  <MolWeight> (1,210)
317.31984

>  <Cat> (1,210)
P3330

>  <Name> (1,210)
WAY-320951

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
Anti-infection

>  <Form> (1,210)
free base

>  <CAS> (1,210)
430444-03-4

>  <URL> (1,210)
N/A

$$$$
WAY-321002
csChFnd80/08142011082D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  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
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
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 21 24  2  0  0  0  0
  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> (1,211)
1212

>  <Formula> (1,211)
C20H16N4

>  <MolWeight> (1,211)
312.36784

>  <Cat> (1,211)
P3331

>  <Name> (1,211)
WAY-321002

>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (1,211)
free base

>  <CAS> (1,211)
166039-38-9

>  <URL> (1,211)
N/A

$$$$
WAY-321364
csChFnd80/08142011082D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,212)
1213

>  <Formula> (1,212)
C21H17N3O4

>  <MolWeight> (1,212)
375.37738

>  <Cat> (1,212)
P3332

>  <Name> (1,212)
WAY-321364

>  <Synonyms> (1,212)
N/A

>  <Target> (1,212)
casein kinase 2

>  <Form> (1,212)
free base

>  <CAS> (1,212)
385389-39-9

>  <URL> (1,212)
N/A

$$$$
WAY-321366
csChFnd80/08142011082D

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 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (1,213)
1214

>  <Formula> (1,213)
C20H14ClN3O3

>  <MolWeight> (1,213)
379.79646

>  <Cat> (1,213)
P3333

>  <Name> (1,213)
WAY-321366

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
tyrosine kinase

>  <Form> (1,213)
free base

>  <CAS> (1,213)
370854-75-4

>  <URL> (1,213)
N/A

$$$$
WAY-321582-A
csChFnd80/08142011082D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,214)
1215

>  <Formula> (1,214)
C13H11N3O

>  <MolWeight> (1,214)
225.24594

>  <Cat> (1,214)
P3334

>  <Name> (1,214)
WAY-321582-A

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
casein kinase 2

>  <Form> (1,214)
free base

>  <CAS> (1,214)
34116-16-0

>  <URL> (1,214)
N/A

$$$$
WAY-321873
csChFnd80/08142011082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
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 14  9  2  0  0  0  0
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 17  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,215)
1216

>  <Formula> (1,215)
C21H17N5O4S

>  <MolWeight> (1,215)
435.45578

>  <Cat> (1,215)
P3335

>  <Name> (1,215)
WAY-321873

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
 GATA4-NKX2-5,AKT

>  <Form> (1,215)
free base

>  <CAS> (1,215)
547704-53-0

>  <URL> (1,215)
N/A

$$$$
WAY-321961
csChFnd80/08142011082D

 16 18  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
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
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 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,216)
1217

>  <Formula> (1,216)
C12H11NO3

>  <MolWeight> (1,216)
217.22064

>  <Cat> (1,216)
P3336

>  <Name> (1,216)
WAY-321961

>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
protein kinase D

>  <Form> (1,216)
free base

>  <CAS> (1,216)
370586-05-3

>  <URL> (1,216)
N/A

$$$$
WAY-322545
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,217)
1218

>  <Formula> (1,217)
C17H19ClN2O3

>  <MolWeight> (1,217)
334.79736

>  <Cat> (1,217)
P3337

>  <Name> (1,217)
WAY-322545

>  <Synonyms> (1,217)
N/A

>  <Target> (1,217)
GSK-3¦Á/¦Â

>  <Form> (1,217)
free base

>  <CAS> (1,217)
451449-70-0

>  <URL> (1,217)
N/A

$$$$
WAY-322940
csChFnd80/08142011082D

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 12  9  1  0  0  0  0
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  2  5  2  0  0  0  0
 13 18  1  0  0  0  0
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 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,218)
1219

>  <Formula> (1,218)
C22H20N4O4S

>  <MolWeight> (1,218)
436.4836

>  <Cat> (1,218)
P3338

>  <Name> (1,218)
WAY-322940

>  <Synonyms> (1,218)
N/A

>  <Target> (1,218)
Rho 

>  <Form> (1,218)
free base

>  <CAS> (1,218)
445267-51-6

>  <URL> (1,218)
N/A

$$$$
WAY-604116
csChFnd80/08142011082D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  6 12  1  0  0  0  0
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  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,219)
1220

>  <Formula> (1,219)
C17H22N2O

>  <MolWeight> (1,219)
270.36938

>  <Cat> (1,219)
P3436

>  <Name> (1,219)
WAY-604116

>  <Synonyms> (1,219)
N/A

>  <Target> (1,219)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (1,219)
free base

>  <CAS> (1,219)
121768-39-6

>  <URL> (1,219)
N/A

$$$$
WAY-603610
csChFnd80/08142011082D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
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 13 12  1  0  0  0  0
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 17  7  2  0  0  0  0
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 20 10  1  0  0  0  0
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 22 13  1  0  0  0  0
  9 10  2  0  0  0  0
  3  5  1  0  0  0  0
  7 14  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,220)
1221

>  <Formula> (1,220)
C17H19N3OS

>  <MolWeight> (1,220)
313.41726

>  <Cat> (1,220)
P3434

>  <Name> (1,220)
WAY-603610

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
GSK3

>  <Form> (1,220)
free base

>  <CAS> (1,220)
380450-97-5

>  <URL> (1,220)
N/A

$$$$
WAY-603814
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,221)
1222

>  <Formula> (1,221)
C16H13ClN2O3

>  <MolWeight> (1,221)
316.73902

>  <Cat> (1,221)
P3435

>  <Name> (1,221)
WAY-603814

>  <Synonyms> (1,221)
N/A

>  <Target> (1,221)
FGFR1, HSP 90 

>  <Form> (1,221)
free base

>  <CAS> (1,221)
308298-51-3

>  <URL> (1,221)
N/A

$$$$
WAY-636900
csChFnd80/08142011082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,222)
1223

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C20H20N4O5S

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428.4616

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P3489

>  <Name> (1,222)
WAY-636900

>  <Synonyms> (1,222)
N/A

>  <Target> (1,222)
Aurora kinase A

>  <Form> (1,222)
free base

>  <CAS> (1,222)
792965-51-6

>  <URL> (1,222)
N/A

$$$$
WAY-636982
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,223)
1224

>  <Formula> (1,223)
C10H14N2O4

>  <MolWeight> (1,223)
226.22916

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P3490

>  <Name> (1,223)
WAY-636982

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
Aurora kinase A

>  <Form> (1,223)
free base

>  <CAS> (1,223)
834-45-7

>  <URL> (1,223)
N/A

$$$$
WAY-637081
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,224)
1225

>  <Formula> (1,224)
C17H11ClN4O2

>  <MolWeight> (1,224)
338.74784

>  <Cat> (1,224)
P3491

>  <Name> (1,224)
WAY-637081

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
VEGFR2,Casein kinase 1d

>  <Form> (1,224)
free base

>  <CAS> (1,224)
793722-88-0

>  <URL> (1,224)
N/A

$$$$
WAY-637493
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,225)
1226

>  <Formula> (1,225)
C18H14N4O3

>  <MolWeight> (1,225)
334.32876

>  <Cat> (1,225)
P3492

>  <Name> (1,225)
WAY-637493

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
Fyn

>  <Form> (1,225)
free base

>  <CAS> (1,225)
791600-64-1

>  <URL> (1,225)
N/A

$$$$
WAY-637845
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,226)
1227

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>  <MolWeight> (1,226)
287.09697

>  <Cat> (1,226)
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>  <Name> (1,226)
WAY-637845

>  <Synonyms> (1,226)
N/A

>  <Target> (1,226)
others

>  <Form> (1,226)
free base

>  <CAS> (1,226)
794539-14-3

>  <URL> (1,226)
N/A

$$$$
WAY-655860
csChFnd80/08142011082D

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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

>  <URL> (1,227)
N/A

$$$$
WAY-655978
csChFnd80/08142011082D

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>  <Synonyms> (1,228)
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ROCK, ERK, GSK, and AGC

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free base

>  <CAS> (1,228)
692869-98-0

>  <URL> (1,228)
N/A

$$$$
WAY-656283
csChFnd80/08142011082D

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263270-62-8

>  <URL> (1,229)
N/A

$$$$
WAY-656935
csChFnd80/08142011082D

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>  <Name> (1,230)
WAY-656935

>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
 ROCK, ERK, GSK, and AGC 

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free base

>  <CAS> (1,230)
852902-81-9

>  <URL> (1,230)
N/A

$$$$
WAY-657460
csChFnd80/08142011082D

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 ROCK, ERK, GSK, and AGC 

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free base

>  <CAS> (1,231)
853325-19-6

>  <URL> (1,231)
N/A

$$$$
WAY-323534
csChFnd80/08142011082D

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PASK

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free base

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854040-96-3

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N/A

$$$$
WAY-323878-A
csChFnd80/08142011082D

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N/A

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CDK

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free base

>  <CAS> (1,233)
1185726-51-5

>  <URL> (1,233)
N/A

$$$$
WAY-323879
csChFnd80/08142011082D

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WAY-323879

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CDK

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free base

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685097-43-2

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N/A

$$$$
WAY-324418
csChFnd80/08142011082D

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N/A

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free base

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681838-49-3

>  <URL> (1,235)
N/A

$$$$
WAY-324420
csChFnd80/08142011082D

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N/A

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Anti-infection

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free base

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681838-50-6

>  <URL> (1,236)
N/A

$$$$
WAY-324709
csChFnd80/08142011082D

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>  <Name> (1,237)
WAY-324709

>  <Synonyms> (1,237)
N/A

>  <Target> (1,237)
ATP-kinase

>  <Form> (1,237)
free base

>  <CAS> (1,237)
69785-85-9

>  <URL> (1,237)
N/A

$$$$
WAY-325065
csChFnd80/08142011082D

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N/A

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WAY-325185
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free base

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342785-98-2

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N/A

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WAY-606344
csChFnd80/08142011082D

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380423-28-9

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N/A

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WAY-606954
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748145-12-2

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N/A

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WAY-606956
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GSK3

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748145-19-9

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N/A

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WAY-606957
csChFnd80/08142011082D

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free base

>  <CAS> (1,243)
1062138-03-7

>  <URL> (1,243)
N/A

$$$$
WAY-606958
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,244)
1245

>  <Formula> (1,244)
C23H23N5O

>  <MolWeight> (1,244)
385.46162

>  <Cat> (1,244)
P3441

>  <Name> (1,244)
WAY-606958

>  <Synonyms> (1,244)
N/A

>  <Target> (1,244)
Casein kinase 1¦Ä

>  <Form> (1,244)
free base

>  <CAS> (1,244)
882220-11-3

>  <URL> (1,244)
N/A

$$$$
WAY-297342
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,245)
1246

>  <Formula> (1,245)
C15H15N3O2S

>  <MolWeight> (1,245)
301.3635

>  <Cat> (1,245)
P3298

>  <Name> (1,245)
WAY-297342

>  <Synonyms> (1,245)
N/A

>  <Target> (1,245)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (1,245)
free base

>  <CAS> (1,245)
298207-49-5

>  <URL> (1,245)
N/A

$$$$
WAY-297629
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,246)
1247

>  <Formula> (1,246)
C21H18N2O3

>  <MolWeight> (1,246)
346.37922

>  <Cat> (1,246)
P3299

>  <Name> (1,246)
WAY-297629

>  <Synonyms> (1,246)
N/A

>  <Target> (1,246)
VEGFR2

>  <Form> (1,246)
free base

>  <CAS> (1,246)
371213-22-8

>  <URL> (1,246)
N/A

$$$$
GI-569525
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,247)
1248

>  <Formula> (1,247)
C18H17NO4S

>  <MolWeight> (1,247)
343.39688

>  <Cat> (1,247)
P3260

>  <Name> (1,247)
GI-569525

>  <Synonyms> (1,247)
N/A

>  <Target> (1,247)
Anti-infection

>  <Form> (1,247)
free base

>  <CAS> (1,247)
96334-43-9

>  <URL> (1,247)
N/A

$$$$
WAY-298041
csChFnd80/08142011082D

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  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,248)
1249

>  <Formula> (1,248)
C17H15N3O2

>  <MolWeight> (1,248)
293.3199

>  <Cat> (1,248)
P3300

>  <Name> (1,248)
WAY-298041

>  <Synonyms> (1,248)
N/A

>  <Target> (1,248)
c-Met

>  <Form> (1,248)
free base

>  <CAS> (1,248)
299405-67-7

>  <URL> (1,248)
N/A

$$$$
WAY-298350
csChFnd80/08142011082D

 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
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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
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 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
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 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> (1,249)
1250

>  <Formula> (1,249)
C17H17NO3

>  <MolWeight> (1,249)
283.32178

>  <Cat> (1,249)
P3301

>  <Name> (1,249)
WAY-298350

>  <Synonyms> (1,249)
N/A

>  <Target> (1,249)
A kinase anchor protein/protein kinase A int

>  <Form> (1,249)
free base

>  <CAS> (1,249)
304888-67-3

>  <URL> (1,249)
N/A

$$$$
WAY-298516
csChFnd80/08142011082D

 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
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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  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> (1,250)
1251

>  <Formula> (1,250)
C14H13ClN2O3

>  <MolWeight> (1,250)
292.71762

>  <Cat> (1,250)
P3302

>  <Name> (1,250)
WAY-298516

>  <Synonyms> (1,250)
N/A

>  <Target> (1,250)
Androgen Receptor,RAD51,GSK-3

>  <Form> (1,250)
free base

>  <CAS> (1,250)
103056-35-5

>  <URL> (1,250)
N/A

$$$$
WAY-298668
csChFnd80/08142011082D

 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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
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 29 30  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,251)
1252

>  <Formula> (1,251)
C22H23N5O3

>  <MolWeight> (1,251)
405.44972

>  <Cat> (1,251)
P3303

>  <Name> (1,251)
WAY-298668

>  <Synonyms> (1,251)
N/A

>  <Target> (1,251)
Aurora-A,JAMM protease

>  <Form> (1,251)
free base

>  <CAS> (1,251)
371224-09-8

>  <URL> (1,251)
N/A

$$$$
WAY-607324
csChFnd80/08142011082D

 19 21  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  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  1  0  0  0  0
 18  9  1  0  0  0  0
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  3  5  1  0  0  0  0
 17 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,252)
1253

>  <Formula> (1,252)
C13H8N2O2S2

>  <MolWeight> (1,252)
288.34482

>  <Cat> (1,252)
P3442

>  <Name> (1,252)
WAY-607324

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
Mcl-1,ASK1

>  <Form> (1,252)
free base

>  <CAS> (1,252)
1427537-92-5

>  <URL> (1,252)
N/A

$$$$
WAY-607500
csChFnd80/08142011082D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
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  5  3  1  0  0  0  0
  8 12  1  0  0  0  0
 23 19  2  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,253)
1254

>  <Formula> (1,253)
C19H18N2O2

>  <MolWeight> (1,253)
306.35842

>  <Cat> (1,253)
P3443

>  <Name> (1,253)
WAY-607500

>  <Synonyms> (1,253)
N/A

>  <Target> (1,253)
VEGFR

>  <Form> (1,253)
free base

>  <CAS> (1,253)
186610-88-8

>  <URL> (1,253)
N/A

$$$$
WAY-607738
csChFnd80/08142011082D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 12  5  1  0  0  0  0
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  6  5  1  0  0  0  0
  8  9  1  0  0  0  0
 32 30  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,254)
1255

>  <Formula> (1,254)
C22H18N4O6

>  <MolWeight> (1,254)
434.40152

>  <Cat> (1,254)
P3444

>  <Name> (1,254)
WAY-607738

>  <Synonyms> (1,254)
N/A

>  <Target> (1,254)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (1,254)
free base

>  <CAS> (1,254)
522624-94-8

>  <URL> (1,254)
N/A

$$$$
WAY-607777
csChFnd80/08142011082D

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 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
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 13 20  2  0  0  0  0
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 15  6  1  0  0  0  0
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 17  5  1  0  0  0  0
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 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,255)
1256

>  <Formula> (1,255)
C16H12ClN3O2S2

>  <MolWeight> (1,255)
377.86838

>  <Cat> (1,255)
P3445

>  <Name> (1,255)
WAY-607777

>  <Synonyms> (1,255)
N/A

>  <Target> (1,255)
Casein kinase 1d

>  <Form> (1,255)
free base

>  <CAS> (1,255)
522626-08-0

>  <URL> (1,255)
N/A

$$$$
WAY-619275
csChFnd80/08142011082D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  7  2  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
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 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,256)
1257

>  <Formula> (1,256)
C12H11N5O

>  <MolWeight> (1,256)
241.24864

>  <Cat> (1,256)
P3457

>  <Name> (1,256)
WAY-619275

>  <Synonyms> (1,256)
N/A

>  <Target> (1,256)
Plk1 kinase,EphB2

>  <Form> (1,256)
free base

>  <CAS> (1,256)
73663-97-5

>  <URL> (1,256)
N/A

$$$$
WAY-619999
csChFnd80/08142011082D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  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
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 13  2  2  0  0  0  0
 14 24  1  0  0  0  0
 15  7  1  0  0  0  0
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 17 31  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
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 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
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 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
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 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> (1,257)
1258

>  <Formula> (1,257)
C22H19Cl2N3O4

>  <MolWeight> (1,257)
460.30996

>  <Cat> (1,257)
P3458

>  <Name> (1,257)
WAY-619999

>  <Synonyms> (1,257)
N/A

>  <Target> (1,257)
CK2,GSK3¦Â

>  <Form> (1,257)
free base

>  <CAS> (1,257)
736932-33-5

>  <URL> (1,257)
N/A

$$$$
WAY-620099
csChFnd80/08142011082D

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  9  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,258)
1259

>  <Formula> (1,258)
C15H12ClN3S

>  <MolWeight> (1,258)
301.79388

>  <Cat> (1,258)
P3459

>  <Name> (1,258)
WAY-620099

>  <Synonyms> (1,258)
N/A

>  <Target> (1,258)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,258)
free base

>  <CAS> (1,258)
128277-24-7

>  <URL> (1,258)
N/A

$$$$
WAY-620147
csChFnd80/08142011082D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,259)
1260

>  <Formula> (1,259)
C12H16BrN3O2

>  <MolWeight> (1,259)
314.17834

>  <Cat> (1,259)
P3460

>  <Name> (1,259)
WAY-620147

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
monoamine oxidase a

>  <Form> (1,259)
free base

>  <CAS> (1,259)
515866-67-8

>  <URL> (1,259)
N/A

$$$$
WAY-638641
csChFnd80/08142011082D

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 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
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 23 15  1  0  0  0  0
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 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,260)
1261

>  <Formula> (1,260)
C16H17N3O5S

>  <MolWeight> (1,260)
363.38828

>  <Cat> (1,260)
P3494

>  <Name> (1,260)
WAY-638641

>  <Synonyms> (1,260)
N/A

>  <Target> (1,260)
Aurora kinase A

>  <Form> (1,260)
free base

>  <CAS> (1,260)
796068-62-7

>  <URL> (1,260)
N/A

$$$$
WAY-638796
csChFnd80/08142011082D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 17 15  1  0  0  0  0
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 19 16  2  0  0  0  0
  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,261)
1262

>  <Formula> (1,261)
C14H10ClN3S

>  <MolWeight> (1,261)
287.7673

>  <Cat> (1,261)
P3495

>  <Name> (1,261)
WAY-638796

>  <Synonyms> (1,261)
N/A

>  <Target> (1,261)
tyrosine kinase

>  <Form> (1,261)
free base

>  <CAS> (1,261)
796067-64-6

>  <URL> (1,261)
N/A

$$$$
WAY-639405
csChFnd80/08142011082D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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 14 12  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 10  2  0  0  0  0
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 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
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  8  9  2  0  0  0  0
  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
 13 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,262)
1263

>  <Formula> (1,262)
C21H18N4O2S

>  <MolWeight> (1,262)
390.45822

>  <Cat> (1,262)
P3496

>  <Name> (1,262)
WAY-639405

>  <Synonyms> (1,262)
N/A

>  <Target> (1,262)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,262)
free base

>  <CAS> (1,262)
796052-04-5

>  <URL> (1,262)
N/A

$$$$
WAY-658341
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,263)
1264

>  <Formula> (1,263)
C18H15BrN6O2S

>  <MolWeight> (1,263)
459.3197

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P3525

>  <Name> (1,263)
WAY-658341

>  <Synonyms> (1,263)
N/A

>  <Target> (1,263)
Casein kinase 1d

>  <Form> (1,263)
free base

>  <CAS> (1,263)
849012-74-4

>  <URL> (1,263)
N/A

$$$$
WAY-658513
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 23 12  2  0  0  0  0
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 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,264)
1265

>  <Formula> (1,264)
C16H11ClFN3OS

>  <MolWeight> (1,264)
347.7944432

>  <Cat> (1,264)
P3526

>  <Name> (1,264)
WAY-658513

>  <Synonyms> (1,264)
N/A

>  <Target> (1,264)
ROCK, ERK, GSK, and AGC

>  <Form> (1,264)
free base

>  <CAS> (1,264)
692870-25-0

>  <URL> (1,264)
N/A

$$$$
WAY-326250
csChFnd80/08142011082D

 22 25  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
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
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 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
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 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
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 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,265)
1266

>  <Formula> (1,265)
C15H13N5OS

>  <MolWeight> (1,265)
311.36162

>  <Cat> (1,265)
P3351

>  <Name> (1,265)
WAY-326250

>  <Synonyms> (1,265)
N/A

>  <Target> (1,265)
shikimate kinase

>  <Form> (1,265)
free base

>  <CAS> (1,265)
869872-13-9

>  <URL> (1,265)
N/A

$$$$
WAY-326542
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.6667   -7.8542    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  1  1  0  0  0  0
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  8  2  1  0  0  0  0
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 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
  5  2  1  0  0  0  0
 13 11  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,266)
1267

>  <Formula> (1,266)
C16H15NO3S

>  <MolWeight> (1,266)
301.3602

>  <Cat> (1,266)
P3352

>  <Name> (1,266)
WAY-326542

>  <Synonyms> (1,266)
N/A

>  <Target> (1,266)
CDK5/p25

>  <Form> (1,266)
free base

>  <CAS> (1,266)
870983-04-3

>  <URL> (1,266)
N/A

$$$$
WAY-326578
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
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 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
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 16 11  1  0  0  0  0
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 22 18  1  0  0  0  0
  7  3  1  0  0  0  0
  6  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,267)
1268

>  <Formula> (1,267)
C16H16N2O3S

>  <MolWeight> (1,267)
316.37484

>  <Cat> (1,267)
P3353

>  <Name> (1,267)
WAY-326578

>  <Synonyms> (1,267)
N/A

>  <Target> (1,267)
GSK-3b

>  <Form> (1,267)
free base

>  <CAS> (1,267)
870984-34-2

>  <URL> (1,267)
N/A

$$$$
WAY-326890
csChFnd80/08142011082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 18  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,268)
1269

>  <Formula> (1,268)
C17H17N3O3S2

>  <MolWeight> (1,268)
375.46518

>  <Cat> (1,268)
P3354

>  <Name> (1,268)
WAY-326890

>  <Synonyms> (1,268)
N/A

>  <Target> (1,268)
Others

>  <Form> (1,268)
free base

>  <CAS> (1,268)
685865-67-2

>  <URL> (1,268)
N/A

$$$$
WAY-326891
csChFnd80/08142011082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Synonyms> (1,269)
N/A

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kinase

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free base

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685865-71-8

>  <URL> (1,269)
N/A

$$$$
WAY-326892
csChFnd80/08142011082D

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M  END
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>  <Cat> (1,270)
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WAY-326892

>  <Synonyms> (1,270)
N/A

>  <Target> (1,270)
kinase

>  <Form> (1,270)
free base

>  <CAS> (1,270)
685865-72-9

>  <URL> (1,270)
N/A

$$$$
WAY-326893
csChFnd80/08142011082D

 25 27  0  0  0  0  0  0  0  0999 V2000
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1272

>  <Formula> (1,271)
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>  <MolWeight> (1,271)
375.46518

>  <Cat> (1,271)
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>  <Name> (1,271)
WAY-326893

>  <Synonyms> (1,271)
N/A

>  <Target> (1,271)
Others

>  <Form> (1,271)
free base

>  <CAS> (1,271)
685865-73-0

>  <URL> (1,271)
N/A

$$$$
WAY-326894
csChFnd80/08142011082D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Formula> (1,272)
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>  <MolWeight> (1,272)
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>  <Cat> (1,272)
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>  <Name> (1,272)
WAY-326894

>  <Synonyms> (1,272)
N/A

>  <Target> (1,272)
kinase

>  <Form> (1,272)
free base

>  <CAS> (1,272)
685865-75-2

>  <URL> (1,272)
N/A

$$$$
WAY-327480
csChFnd80/08142011082D

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>  <Target> (1,273)
ROS

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free base

>  <CAS> (1,273)
687576-28-9

>  <URL> (1,273)
N/A

$$$$
WAY-328158
csChFnd80/08142011082D

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M  END
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C19H16FN3O3S

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>  <Name> (1,274)
WAY-328158

>  <Synonyms> (1,274)
N/A

>  <Target> (1,274)
BCR-ABL

>  <Form> (1,274)
free base

>  <CAS> (1,274)
688050-42-2

>  <URL> (1,274)
N/A

$$$$
WAY-621129
csChFnd80/08142011082D

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>  <Mol_ID> (1,275)
1276

>  <Formula> (1,275)
C16H12O4

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>  <Cat> (1,275)
P3461

>  <Name> (1,275)
WAY-621129

>  <Synonyms> (1,275)
N/A

>  <Target> (1,275)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,275)
free base

>  <CAS> (1,275)
6889-78-7

>  <URL> (1,275)
N/A

$$$$
WAY-621555
csChFnd80/08142011082D

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>  <Mol_ID> (1,276)
1277

>  <Formula> (1,276)
C22H21N5

>  <MolWeight> (1,276)
355.43564

>  <Cat> (1,276)
P3462

>  <Name> (1,276)
WAY-621555

>  <Synonyms> (1,276)
N/A

>  <Target> (1,276)
Casein kinase 1¦Ä

>  <Form> (1,276)
free base

>  <CAS> (1,276)
956753-89-2

>  <URL> (1,276)
N/A

$$$$
WAY-621640
csChFnd80/08142011082D

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>  <Mol_ID> (1,277)
1278

>  <Formula> (1,277)
C17H15N3O2S

>  <MolWeight> (1,277)
325.3849

>  <Cat> (1,277)
P3463

>  <Name> (1,277)
WAY-621640

>  <Synonyms> (1,277)
N/A

>  <Target> (1,277)
Casein kinase 1¦Ä

>  <Form> (1,277)
free base

>  <CAS> (1,277)
742113-71-9

>  <URL> (1,277)
N/A

$$$$
WAY-621856
csChFnd80/08142011082D

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N/A

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FGFR

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free base

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606958-57-0

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N/A

$$$$
WAY-639932
csChFnd80/08142011082D

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1280

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WAY-639932

>  <Synonyms> (1,279)
N/A

>  <Target> (1,279)
Casein kinase 1¦Ä

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free base

>  <CAS> (1,279)
851467-69-1

>  <URL> (1,279)
N/A

$$$$
WAY-660114
csChFnd80/08142011082D

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M  END
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1281

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WAY-660114

>  <Synonyms> (1,280)
N/A

>  <Target> (1,280)
kinase

>  <Form> (1,280)
free base

>  <CAS> (1,280)
871317-00-9

>  <URL> (1,280)
N/A

$$$$
WAY-660222
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,281)
1282

>  <Formula> (1,281)
C19H13FO

>  <MolWeight> (1,281)
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>  <Name> (1,281)
WAY-660222

>  <Synonyms> (1,281)
N/A

>  <Target> (1,281)
EGFR

>  <Form> (1,281)
free base

>  <CAS> (1,281)
867294-23-3

>  <URL> (1,281)
N/A

$$$$
WAY-660667
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,282)
1283

>  <Formula> (1,282)
C17H17N5O3

>  <MolWeight> (1,282)
339.34858

>  <Cat> (1,282)
P3529

>  <Name> (1,282)
WAY-660667

>  <Synonyms> (1,282)
N/A

>  <Target> (1,282)
ROS

>  <Form> (1,282)
free base

>  <CAS> (1,282)
871218-26-7

>  <URL> (1,282)
N/A

$$$$
WAY-661516
csChFnd80/08142011082D

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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  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 22  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  1  0  0  0  0
 24  5  1  0  0  0  0
 25  5  1  0  0  0  0
  4  5  1  0  0  0  0
 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,283)
1284

>  <Formula> (1,283)
C15H15ClFN3O5

>  <MolWeight> (1,283)
371.7481032

>  <Cat> (1,283)
P3530

>  <Name> (1,283)
WAY-661516

>  <Synonyms> (1,283)
N/A

>  <Target> (1,283)
Aurora kinase A

>  <Form> (1,283)
free base

>  <CAS> (1,283)
875163-98-7

>  <URL> (1,283)
N/A

$$$$
CL-230482
csChFnd80/08142011082D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0418   -0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1314    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2306   -0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0582    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6694    0.8795    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  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  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,284)
1285

>  <Formula> (1,284)
C15H12N2O

>  <MolWeight> (1,284)
236.26858

>  <Cat> (1,284)
P3255

>  <Name> (1,284)
CL-230482

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
PDGFR

>  <Form> (1,284)
free base

>  <CAS> (1,284)
909859-35-4

>  <URL> (1,284)
N/A

$$$$
WYE-163716-A
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.2542   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -0.0273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8852   -1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4921    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    1.4624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162    1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7045   -1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -2.2445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8507    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0596   -1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286   -0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148    1.0624    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  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
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,285)
1286

>  <Formula> (1,285)
C15H14N4O2S2

>  <MolWeight> (1,285)
346.42726

>  <Cat> (1,285)
P3533

>  <Name> (1,285)
WYE-163716-A

>  <Synonyms> (1,285)
N/A

>  <Target> (1,285)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,285)
free base

>  <CAS> (1,285)
92902-64-2

>  <URL> (1,285)
N/A

$$$$
WYE-175765
csChFnd80/08142011082D

 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
   -1.8875   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (1,286)
1287

>  <Formula> (1,286)
C14H13NO6S

>  <MolWeight> (1,286)
323.32112

>  <Cat> (1,286)
P3534

>  <Name> (1,286)
WYE-175765

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
JAK3,YopH,antibacterial

>  <Form> (1,286)
free base

>  <CAS> (1,286)
956236-35-4

>  <URL> (1,286)
N/A

$$$$
WYE-175829
csChFnd80/08142011082D

 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
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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
    1.0500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4792    0.6083    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  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> (1,287)
1288

>  <Formula> (1,287)
C13H14N2O3S

>  <MolWeight> (1,287)
278.32686

>  <Cat> (1,287)
P3535

>  <Name> (1,287)
WYE-175829

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,287)
free base

>  <CAS> (1,287)
327093-01-6

>  <URL> (1,287)
N/A

$$$$
WYE-175837
csChFnd80/08142011082D

 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
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   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    0.3651    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (1,288)
1289

>  <Formula> (1,288)
C14H14N2O2

>  <MolWeight> (1,288)
242.27316

>  <Cat> (1,288)
P3536

>  <Name> (1,288)
WYE-175837

>  <Synonyms> (1,288)
N/A

>  <Target> (1,288)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,288)
free base

>  <CAS> (1,288)
891-35-0

>  <URL> (1,288)
N/A

$$$$
WYE-175840
csChFnd80/08142011082D

 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
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   -0.5458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,289)
1290

>  <Formula> (1,289)
C17H19N5O3S

>  <MolWeight> (1,289)
373.42946

>  <Cat> (1,289)
P3537

>  <Name> (1,289)
WYE-175840

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,289)
free base

>  <CAS> (1,289)
380432-29-1

>  <URL> (1,289)
N/A

$$$$
WYE-176092
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,290)
1291

>  <Formula> (1,290)
C12H14N2O2S2

>  <MolWeight> (1,290)
282.38176

>  <Cat> (1,290)
P3538

>  <Name> (1,290)
WYE-176092

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
Anti-infection

>  <Form> (1,290)
free base

>  <CAS> (1,290)
121746-06-3

>  <URL> (1,290)
N/A

$$$$
WAY-333491
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,291)
1292

>  <Formula> (1,291)
C18H19N5OS

>  <MolWeight> (1,291)
353.44136

>  <Cat> (1,291)
P3379

>  <Name> (1,291)
WAY-333491

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
LRRK2

>  <Form> (1,291)
free base

>  <CAS> (1,291)
852375-30-5

>  <URL> (1,291)
N/A

$$$$
WAY-333434
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,292)
1293

>  <Formula> (1,292)
C19H20FN5OS

>  <MolWeight> (1,292)
385.4584032

>  <Cat> (1,292)
P3378

>  <Name> (1,292)
WAY-333434

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
Others

>  <Form> (1,292)
free base

>  <CAS> (1,292)
721964-45-0

>  <URL> (1,292)
N/A

$$$$
WAY-662864
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,293)
1294

>  <Formula> (1,293)
C15H22N4O5S

>  <MolWeight> (1,293)
370.42398

>  <Cat> (1,293)
P3531

>  <Name> (1,293)
WAY-662864

>  <Synonyms> (1,293)
N/A

>  <Target> (1,293)
UMPK

>  <Form> (1,293)
free base

>  <CAS> (1,293)
1621866-83-8

>  <URL> (1,293)
N/A

$$$$
WAY-278752
csChFnd80/08142011082D

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WAY-329594
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others

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free base

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956910-37-5

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N/A

$$$$
WAY-329599
csChFnd80/08142011082D

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others

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free base

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956910-38-6

>  <URL> (1,296)
N/A

$$$$
WAY-329603
csChFnd80/08142011082D

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>  <Synonyms> (1,297)
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>  <Target> (1,297)
others

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free base

>  <CAS> (1,297)
956910-39-7

>  <URL> (1,297)
N/A

$$$$
WAY-329598
csChFnd80/08142011082D

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>  <Formula> (1,298)
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>  <Synonyms> (1,298)
N/A

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others

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free base

>  <CAS> (1,298)
956910-48-8

>  <URL> (1,298)
N/A

$$$$
WAY-329607
csChFnd80/08142011082D

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>  <Formula> (1,299)
C14H9ClFN3O3S2

>  <MolWeight> (1,299)
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>  <Name> (1,299)
WAY-329607

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
others

>  <Form> (1,299)
free base

>  <CAS> (1,299)
956920-91-5

>  <URL> (1,299)
N/A

$$$$
WAY-278535
csChFnd80/08142011082D

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>  <Formula> (1,300)
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>  <MolWeight> (1,300)
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>  <Cat> (1,300)
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>  <Name> (1,300)
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>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
Pim-1,Pim-2,PPAR

>  <Form> (1,300)
free base

>  <CAS> (1,300)
24138-83-8

>  <URL> (1,300)
N/A

$$$$
WAY-278534
csChFnd80/08142011082D

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C11H9NO3S

>  <MolWeight> (1,301)
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>  <Cat> (1,301)
P3292

>  <Name> (1,301)
WAY-278534

>  <Synonyms> (1,301)
N/A

>  <Target> (1,301)
Pim-1,Pim-2

>  <Form> (1,301)
free base

>  <CAS> (1,301)
6320-51-0

>  <URL> (1,301)
N/A

$$$$
WAY-299369
csChFnd80/08142011082D

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>  <Mol_ID> (1,302)
1303

>  <Formula> (1,302)
C15H15ClN2O3

>  <MolWeight> (1,302)
306.7442

>  <Cat> (1,302)
P3304

>  <Name> (1,302)
WAY-299369

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,302)
free base

>  <CAS> (1,302)
1005078-45-4

>  <URL> (1,302)
N/A

$$$$
WAY-382818
csChFnd80/08142011082D

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>  <Mol_ID> (1,303)
1304

>  <Formula> (1,303)
C24H20N4O5

>  <MolWeight> (1,303)
444.4394

>  <Cat> (1,303)
P3418

>  <Name> (1,303)
WAY-382818

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
mitogen-activated protein kinase phosphatase

>  <Form> (1,303)
free base

>  <CAS> (1,303)
1022922-35-5

>  <URL> (1,303)
N/A

$$$$
WAY-383270
csChFnd80/08142011082D

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 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
 17 19  2  0  0  0  0
 18  5  2  0  0  0  0
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 22  6  2  0  0  0  0
 23 10  1  0  0  0  0
 24 14  1  0  0  0  0
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 29 25  1  0  0  0  0
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 17 20  1  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> (1,304)
1305

>  <Formula> (1,304)
C23H24FN3O2S

>  <MolWeight> (1,304)
425.5189632

>  <Cat> (1,304)
P3419

>  <Name> (1,304)
WAY-383270

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
Casein kinase 1¦Ä

>  <Form> (1,304)
free base

>  <CAS> (1,304)
1024284-84-1

>  <URL> (1,304)
N/A

$$$$
GI-566508
csChFnd80/08142011082D

 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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  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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  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> (1,305)
1306

>  <Formula> (1,305)
C17H17N3S

>  <MolWeight> (1,305)
295.40198

>  <Cat> (1,305)
P3259

>  <Name> (1,305)
GI-566508

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
EGFR 

>  <Form> (1,305)
free base

>  <CAS> (1,305)
1164458-14-3

>  <URL> (1,305)
N/A

$$$$
WAY-107407
csChFnd80/08142011082D

 20 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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 10 15  2  0  0  0  0
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 13 18  1  0  0  0  0
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 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1307

>  <Formula> (1,306)
C15H12N2O3

>  <MolWeight> (1,306)
268.26738

>  <Cat> (1,306)
P3262

>  <Name> (1,306)
WAY-107407

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
PI3K

>  <Form> (1,306)
free base

>  <CAS> (1,306)
1164469-67-3

>  <URL> (1,306)
N/A

$$$$
WAY-114506
csChFnd80/08142011082D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
  6  3  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,307)
1308

>  <Formula> (1,307)
C10H18N4O4

>  <MolWeight> (1,307)
258.27432

>  <Cat> (1,307)
P3265

>  <Name> (1,307)
WAY-114506

>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
amyloid beta

>  <Form> (1,307)
free base

>  <CAS> (1,307)
1164500-43-9

>  <URL> (1,307)
N/A

$$$$
WAY-221060-A
csChFnd80/08142011082D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   16.0000   -6.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7645   -6.4130    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  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
  5  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,308)
1309

>  <Formula> (1,308)
C17H25NO

>  <MolWeight> (1,308)
259.3865

>  <Cat> (1,308)
P3266

>  <Name> (1,308)
WAY-221060-A

>  <Synonyms> (1,308)
N/A

>  <Target> (1,308)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,308)
free base

>  <CAS> (1,308)
1351406-38-6

>  <URL> (1,308)
N/A

$$$$
WAY-240932
csChFnd80/08142011082D

 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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  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
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 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> (1,309)
1310

>  <Formula> (1,309)
C15H11BrN2O2S

>  <MolWeight> (1,309)
363.22904

>  <Cat> (1,309)
P3269

>  <Name> (1,309)
WAY-240932

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
serine/threonine kinase

>  <Form> (1,309)
free base

>  <CAS> (1,309)
326914-66-3

>  <URL> (1,309)
N/A

$$$$
WAY-299590
csChFnd80/08142011082D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
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 15 19  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,310)
1311

>  <Formula> (1,310)
C19H20FNO

>  <MolWeight> (1,310)
297.3666032

>  <Cat> (1,310)
P3305

>  <Name> (1,310)
WAY-299590

>  <Synonyms> (1,310)
N/A

>  <Target> (1,310)
InhA,p38a

>  <Form> (1,310)
free base

>  <CAS> (1,310)
260428-61-3

>  <URL> (1,310)
N/A

$$$$
WAY-300062
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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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
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  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,311)
1312

>  <Formula> (1,311)
C16H16N4O2S

>  <MolWeight> (1,311)
328.38884

>  <Cat> (1,311)
P3307

>  <Name> (1,311)
WAY-300062

>  <Synonyms> (1,311)
N/A

>  <Target> (1,311)
Anti-infection

>  <Form> (1,311)
free base

>  <CAS> (1,311)
330990-68-6

>  <URL> (1,311)
N/A

$$$$
WAY-299721
csChFnd80/08142011082D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    2.7828   -1.3724    0.0000 F   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  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
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  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
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 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> (1,312)
1313

>  <Formula> (1,312)
C18H15ClF3N5OS

>  <MolWeight> (1,312)
441.8578096

>  <Cat> (1,312)
P3306

>  <Name> (1,312)
WAY-299721

>  <Synonyms> (1,312)
N/A

>  <Target> (1,312)
SYK kinase

>  <Form> (1,312)
free base

>  <CAS> (1,312)
338427-78-4

>  <URL> (1,312)
N/A

$$$$
WAY-300385
csChFnd80/08142011082D

 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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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  4 10  2  0  0  0  0
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  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 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> (1,313)
1314

>  <Formula> (1,313)
C13H15N3O2S2

>  <MolWeight> (1,313)
309.4071

>  <Cat> (1,313)
P3308

>  <Name> (1,313)
WAY-300385

>  <Synonyms> (1,313)
N/A

>  <Target> (1,313)
Anti-infection

>  <Form> (1,313)
free base

>  <CAS> (1,313)
500188-71-6

>  <URL> (1,313)
N/A

$$$$
WAY-300442
csChFnd80/08142011082D

 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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 12 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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 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> (1,314)
1315

>  <Formula> (1,314)
C18H11BrN2O4

>  <MolWeight> (1,314)
399.19494

>  <Cat> (1,314)
P3309

>  <Name> (1,314)
WAY-300442

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
ATP-kinase

>  <Form> (1,314)
free base

>  <CAS> (1,314)
333773-08-3

>  <URL> (1,314)
N/A

$$$$
WAY-384934
csChFnd80/08142011082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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1316

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C24H22N4O2

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398.45708

>  <Cat> (1,315)
P3420

>  <Name> (1,315)
WAY-384934

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
pyruvate kinase

>  <Form> (1,315)
free base

>  <CAS> (1,315)
498568-75-5

>  <URL> (1,315)
N/A

$$$$
WAY-388796
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,316)
1317

>  <Formula> (1,316)
C11H11ClN2S

>  <MolWeight> (1,316)
238.73644

>  <Cat> (1,316)
P3421

>  <Name> (1,316)
WAY-388796

>  <Synonyms> (1,316)
N/A

>  <Target> (1,316)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,316)
free base

>  <CAS> (1,316)
40106-58-9

>  <URL> (1,316)
N/A

$$$$
WAY-388798
csChFnd80/08142011082D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,317)
1318

>  <Formula> (1,317)
C7H5ClN2OS

>  <MolWeight> (1,317)
200.6454

>  <Cat> (1,317)
P3422

>  <Name> (1,317)
WAY-388798

>  <Synonyms> (1,317)
N/A

>  <Target> (1,317)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,317)
free base

>  <CAS> (1,317)
63417-81-2

>  <URL> (1,317)
N/A

$$$$
WAY-346940
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,318)
1319

>  <Formula> (1,318)
C15H11ClN4O2S

>  <MolWeight> (1,318)
346.79144

>  <Cat> (1,318)
P3391

>  <Name> (1,318)
WAY-346940

>  <Synonyms> (1,318)
N/A

>  <Target> (1,318)
Rho

>  <Form> (1,318)
free base

>  <CAS> (1,318)
392246-66-1

>  <URL> (1,318)
N/A

$$$$
WAY-347243
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,319)
1320

>  <Formula> (1,319)
C11H13N3S

>  <MolWeight> (1,319)
219.30602

>  <Cat> (1,319)
P3392

>  <Name> (1,319)
WAY-347243

>  <Synonyms> (1,319)
N/A

>  <Target> (1,319)
Anti-infection

>  <Form> (1,319)
free base

>  <CAS> (1,319)
422298-69-9

>  <URL> (1,319)
N/A

$$$$
WAY-347626
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,320)
1321

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C17H15N3O3

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CDK2

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free base

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756843-31-9

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N/A

$$$$
WAY-347806
csChFnd80/08142011082D

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WAY-347806

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
CK2,GSK3¦Â

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free base

>  <CAS> (1,321)
757198-76-8

>  <URL> (1,321)
N/A

$$$$
WAY-349807
csChFnd80/08142011082D

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C28H26ClN3O3

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>  <Name> (1,322)
WAY-349807

>  <Synonyms> (1,322)
N/A

>  <Target> (1,322)
Pim-1

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free base

>  <CAS> (1,322)
544662-95-5

>  <URL> (1,322)
N/A

$$$$
WAY-349858
csChFnd80/08142011082D

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>  <Name> (1,323)
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>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
c-Jun N-terminal kinase

>  <Form> (1,323)
free base

>  <CAS> (1,323)
771503-50-5

>  <URL> (1,323)
N/A

$$$$
WAY-350732
csChFnd80/08142011082D

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1325

>  <Formula> (1,324)
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>  <MolWeight> (1,324)
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>  <Cat> (1,324)
P3399

>  <Name> (1,324)
WAY-350732

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
c-Jun N-terminal kinase

>  <Form> (1,324)
free base

>  <CAS> (1,324)
438602-71-2

>  <URL> (1,324)
N/A

$$$$
WAY-351429
csChFnd80/08142011082D

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WAY-351429

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
choline kinase

>  <Form> (1,325)
free base

>  <CAS> (1,325)
451474-95-6

>  <URL> (1,325)
N/A

$$$$
WAY-351812
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,326)
1327

>  <Formula> (1,326)
C15H14F3N3O3S

>  <MolWeight> (1,326)
373.3501696

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P3402

>  <Name> (1,326)
WAY-351812

>  <Synonyms> (1,326)
N/A

>  <Target> (1,326)
CDK8

>  <Form> (1,326)
free base

>  <CAS> (1,326)
471289-61-9

>  <URL> (1,326)
N/A

$$$$
WAY-352098
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,327)
1328

>  <Formula> (1,327)
C17H12F3N5O2S

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407.3696896

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P3403

>  <Name> (1,327)
WAY-352098

>  <Synonyms> (1,327)
N/A

>  <Target> (1,327)
PDK1,CRTH2

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free base

>  <CAS> (1,327)
482643-39-0

>  <URL> (1,327)
N/A

$$$$
WAY-352753
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,328)
1329

>  <Formula> (1,328)
C14H10ClN3OS

>  <MolWeight> (1,328)
303.7667

>  <Cat> (1,328)
P3404

>  <Name> (1,328)
WAY-352753

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
GSK-3

>  <Form> (1,328)
free base

>  <CAS> (1,328)
478482-74-5

>  <URL> (1,328)
N/A

$$$$
WAY-353591
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 17  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,329)
1330

>  <Formula> (1,329)
C16H12FN3S

>  <MolWeight> (1,329)
297.3499832

>  <Cat> (1,329)
P3406

>  <Name> (1,329)
WAY-353591

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
Casein kinase 1d

>  <Form> (1,329)
free base

>  <CAS> (1,329)
454427-09-9

>  <URL> (1,329)
N/A

$$$$
WAY-353890
csChFnd80/08142011082D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,330)
1331

>  <Formula> (1,330)
C17H13FN4O

>  <MolWeight> (1,330)
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>  <Name> (1,330)
WAY-353890

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
FGFR1

>  <Form> (1,330)
free base

>  <CAS> (1,330)
459137-97-4

>  <URL> (1,330)
N/A

$$$$
WAY-354189
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,331)
1332

>  <Formula> (1,331)
C15H12Cl2N2O4S

>  <MolWeight> (1,331)
387.23778

>  <Cat> (1,331)
P3408

>  <Name> (1,331)
WAY-354189

>  <Synonyms> (1,331)
N/A

>  <Target> (1,331)
JAK-STAT

>  <Form> (1,331)
free base

>  <CAS> (1,331)
850019-35-1

>  <URL> (1,331)
N/A

$$$$
GI-570261
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,332)
1333

>  <Formula> (1,332)
C22H19N5O3S

>  <MolWeight> (1,332)
433.48296

>  <Cat> (1,332)
P3261

>  <Name> (1,332)
GI-570261

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,332)
free base

>  <CAS> (1,332)
301357-76-6

>  <URL> (1,332)
N/A

$$$$
WAY-352835
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,333)
1334

>  <Formula> (1,333)
C16H15N3OS

>  <MolWeight> (1,333)
297.3748

>  <Cat> (1,333)
P3405

>  <Name> (1,333)
WAY-352835

>  <Synonyms> (1,333)
N/A

>  <Target> (1,333)
tyrosine kinase

>  <Form> (1,333)
free base

>  <CAS> (1,333)
401638-52-6

>  <URL> (1,333)
N/A

$$$$
WAY-354831
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,334)
1335

>  <Formula> (1,334)
C15H10FN3O3

>  <MolWeight> (1,334)
299.2566032

>  <Cat> (1,334)
P3409

>  <Name> (1,334)
WAY-354831

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
c-Met 

>  <Form> (1,334)
free base

>  <CAS> (1,334)
330572-32-2

>  <URL> (1,334)
N/A

$$$$
WAY-354890
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,335)
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>  <Formula> (1,335)
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>  <Name> (1,335)
WAY-354890

>  <Synonyms> (1,335)
N/A

>  <Target> (1,335)
EGFR 

>  <Form> (1,335)
free base

>  <CAS> (1,335)
852407-49-9

>  <URL> (1,335)
N/A

$$$$
WAY-355772
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,336)
1337

>  <Formula> (1,336)
C19H13F3N2O4S

>  <MolWeight> (1,336)
422.3777296

>  <Cat> (1,336)
P3411

>  <Name> (1,336)
WAY-355772

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
serine/threonine kinase

>  <Form> (1,336)
free base

>  <CAS> (1,336)
442658-33-5

>  <URL> (1,336)
N/A

$$$$
WAY-357919
csChFnd80/08142011082D

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 16  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,337)
1338

>  <Formula> (1,337)
C18H16N2O2S

>  <MolWeight> (1,337)
324.39684

>  <Cat> (1,337)
P3412

>  <Name> (1,337)
WAY-357919

>  <Synonyms> (1,337)
N/A

>  <Target> (1,337)
VEGFR

>  <Form> (1,337)
free base

>  <CAS> (1,337)
298207-77-9

>  <URL> (1,337)
N/A

$$$$
WAY-358024
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,338)
1339

>  <Formula> (1,338)
C15H11N3O3

>  <MolWeight> (1,338)
281.26614

>  <Cat> (1,338)
P3413

>  <Name> (1,338)
WAY-358024

>  <Synonyms> (1,338)
N/A

>  <Target> (1,338)
GSK-3b

>  <Form> (1,338)
free base

>  <CAS> (1,338)
70169-39-0

>  <URL> (1,338)
N/A

$$$$
WAY-358667-A
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,339)
1340

>  <Formula> (1,339)
C12H8N2S2

>  <MolWeight> (1,339)
244.33532

>  <Cat> (1,339)
P3414

>  <Name> (1,339)
WAY-358667-A

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
Human protein kinase CK2

>  <Form> (1,339)
free base

>  <CAS> (1,339)
182198-89-6

>  <URL> (1,339)
N/A

$$$$
WAY-358981
csChFnd80/08142011082D

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  3  5  2  0  0  0  0
 13  9  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,340)
1341

>  <Formula> (1,340)
C14H12N4O

>  <MolWeight> (1,340)
252.27128

>  <Cat> (1,340)
P3415

>  <Name> (1,340)
WAY-358981

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
sphingosine kinase

>  <Form> (1,340)
free base

>  <CAS> (1,340)
307322-32-3

>  <URL> (1,340)
N/A

$$$$
WAY-359594
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,341)
1342

>  <Formula> (1,341)
C23H21N3O2

>  <MolWeight> (1,341)
371.43174

>  <Cat> (1,341)
P3416

>  <Name> (1,341)
WAY-359594

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
G protein coupled receptor 6 kinase

>  <Form> (1,341)
free base

>  <CAS> (1,341)
33495-39-5

>  <URL> (1,341)
N/A

$$$$
WAY-381785
csChFnd80/08142011082D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
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 10  9  2  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,342)
1343

>  <Formula> (1,342)
C20H23N3O

>  <MolWeight> (1,342)
321.41612

>  <Cat> (1,342)
P3417

>  <Name> (1,342)
WAY-381785

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
GSK3

>  <Form> (1,342)
free base

>  <CAS> (1,342)
511239-29-5

>  <URL> (1,342)
N/A

$$$$
WAY-313201
csChFnd80/08142011082D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,343)
1344

>  <Formula> (1,343)
C12H12N2O3S

>  <MolWeight> (1,343)
264.30028

>  <Cat> (1,343)
P3320

>  <Name> (1,343)
WAY-313201

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
 GSK-3b

>  <Form> (1,343)
free base

>  <CAS> (1,343)
571904-77-3

>  <URL> (1,343)
N/A

$$$$
WAY-311972
csChFnd80/08142011082D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0  0  0  0
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 14 13  2  0  0  0  0
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M  END
>  <Mol_ID> (1,344)
1345

>  <Formula> (1,344)
C21H18BrN3O3

>  <MolWeight> (1,344)
440.28992

>  <Cat> (1,344)
P3315

>  <Name> (1,344)
WAY-311972

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
ATP-kinases

>  <Form> (1,344)
free base

>  <CAS> (1,344)
606948-76-9

>  <URL> (1,344)
N/A

$$$$
WAY-113178
csChFnd80/08142011082D

 28 31  0  0  0  0  0  0  0  0999 V2000
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WAY-113178

>  <Synonyms> (1,345)
N/A

>  <Target> (1,345)
IkB kinase-beta 

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free base

>  <CAS> (1,345)
638999-98-1

>  <URL> (1,345)
N/A

$$$$
WAY-344977
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,346)
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>  <Formula> (1,346)
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376.86048

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>  <Name> (1,346)
WAY-344977

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
GSK-3

>  <Form> (1,346)
free base

>  <CAS> (1,346)
686743-57-7

>  <URL> (1,346)
N/A

$$$$
WAY-310507
csChFnd80/08142011082D

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WAY-310507

>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
Anti-infection

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free base

>  <CAS> (1,347)
686743-93-1

>  <URL> (1,347)
N/A

$$$$
WAY-310944
csChFnd80/08142011082D

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WAY-310944

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N/A

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Anti-infection

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free base

>  <CAS> (1,348)
688335-53-7

>  <URL> (1,348)
N/A

$$$$
WAY-310334
csChFnd80/08142011082D

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>  <Mol_ID> (1,349)
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>  <Formula> (1,349)
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>  <Name> (1,349)
WAY-310334

>  <Synonyms> (1,349)
N/A

>  <Target> (1,349)
mPGES-1,human protein kinase CK2

>  <Form> (1,349)
free base

>  <CAS> (1,349)
688335-72-0

>  <URL> (1,349)
N/A

$$$$
WAY-310819
csChFnd80/08142011082D

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>  <Formula> (1,350)
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>  <Cat> (1,350)
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>  <Name> (1,350)
WAY-310819

>  <Synonyms> (1,350)
N/A

>  <Target> (1,350)
B-Raf

>  <Form> (1,350)
free base

>  <CAS> (1,350)
326918-98-3

>  <URL> (1,350)
N/A

$$$$
CL-59089
csChFnd80/08142011082D

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free base

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3008-61-5

>  <URL> (1,351)
N/A

$$$$
WAY-616312
csChFnd80/08142011082D

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1353

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WAY-616312

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
sirtuin,Rho,CDK

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free base

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730946-98-2

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N/A

$$$$
WAY-624687
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,353)
1354

>  <Formula> (1,353)
C13H9N5S2

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>  <Name> (1,353)
WAY-624687

>  <Synonyms> (1,353)
N/A

>  <Target> (1,353)
GSK3

>  <Form> (1,353)
free base

>  <CAS> (1,353)
753473-65-3

>  <URL> (1,353)
N/A

$$$$
WAY-330162
csChFnd80/08142011082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,354)
C22H26N2O5S

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>  <Name> (1,354)
WAY-330162

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
Kinase

>  <Form> (1,354)
free base

>  <CAS> (1,354)
868963-46-6

>  <URL> (1,354)
N/A

$$$$
WAY-333883
csChFnd80/08142011082D

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1356

>  <Formula> (1,355)
C16H16Cl2N4O

>  <MolWeight> (1,355)
351.23044

>  <Cat> (1,355)
P3382

>  <Name> (1,355)
WAY-333883

>  <Synonyms> (1,355)
N/A

>  <Target> (1,355)
pyruvate kinase

>  <Form> (1,355)
free base

>  <CAS> (1,355)
863448-35-5

>  <URL> (1,355)
N/A

$$$$
WAY-333875
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,356)
1357

>  <Formula> (1,356)
C16H16ClFN4O

>  <MolWeight> (1,356)
334.7758432

>  <Cat> (1,356)
P3380

>  <Name> (1,356)
WAY-333875

>  <Synonyms> (1,356)
N/A

>  <Target> (1,356)
pyruvate kinase

>  <Form> (1,356)
free base

>  <CAS> (1,356)
863448-22-0

>  <URL> (1,356)
N/A

$$$$
WAY-333878
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,357)
1358

>  <Formula> (1,357)
C18H22N4O

>  <MolWeight> (1,357)
310.39348

>  <Cat> (1,357)
P3381

>  <Name> (1,357)
WAY-333878

>  <Synonyms> (1,357)
N/A

>  <Target> (1,357)
pyruvate kinase

>  <Form> (1,357)
free base

>  <CAS> (1,357)
863448-25-3

>  <URL> (1,357)
N/A

$$$$
WAY-329412
csChFnd80/08142011082D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,358)
1359

>  <Formula> (1,358)
C27H25N3O3

>  <MolWeight> (1,358)
439.5057

>  <Cat> (1,358)
P3365

>  <Name> (1,358)
WAY-329412

>  <Synonyms> (1,358)
N/A

>  <Target> (1,358)
Abl

>  <Form> (1,358)
free base

>  <CAS> (1,358)
943932-69-2

>  <URL> (1,358)
N/A

$$$$
WAY-329689
csChFnd80/08142011082D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,359)
1360

>  <Formula> (1,359)
C29H29N3O4

>  <MolWeight> (1,359)
483.55826

>  <Cat> (1,359)
P3376

>  <Name> (1,359)
WAY-329689

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
Abl

>  <Form> (1,359)
free base

>  <CAS> (1,359)
943934-76-7

>  <URL> (1,359)
N/A

$$$$
WAY-329424
csChFnd80/08142011082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-329686
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Abl

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free base

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943934-31-4

>  <URL> (1,361)
N/A

$$$$
WAY-329410
csChFnd80/08142011082D

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Abl

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943932-62-5

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N/A

$$$$
WAY-329685
csChFnd80/08142011082D

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>  <Synonyms> (1,363)
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Abl

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free base

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943934-25-6

>  <URL> (1,363)
N/A

$$$$
WAY-329423
csChFnd80/08142011082D

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WAY-329356
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Abl

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free base

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N/A

$$$$
WAY-329341
csChFnd80/08142011082D

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Abl

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free base

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943931-29-1

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N/A

$$$$
WAY-329340
csChFnd80/08142011082D

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Abl

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free base

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943931-23-5

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N/A

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WAY-641918
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  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5 12  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11 15  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 16  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  1  0  0  0  0
 21  4  1  0  0  0  0
 22 20  1  0  0  0  0
 23  9  1  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
 15 17  1  0  0  0  0
 22  9  1  0  0  0  0
 30 29  2  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,368)
1369

>  <Formula> (1,368)
C25H24N2O3

>  <MolWeight> (1,368)
400.46966

>  <Cat> (1,368)
P3498

>  <Name> (1,368)
WAY-641918

>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
TAO kinase

>  <Form> (1,368)
free base

>  <CAS> (1,368)
850467-77-5

>  <URL> (1,368)
N/A

$$$$
WAY-278459-A
csChFnd80/08142011082D

 15 16  0  0  0  0  0  0  0  0999 V2000
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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  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,369)
1370

>  <Formula> (1,369)
C11H12N2OS

>  <MolWeight> (1,369)
220.29078

>  <Cat> (1,369)
P3291

>  <Name> (1,369)
WAY-278459-A

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (1,369)
free base

>  <CAS> (1,369)
105512-88-7

>  <URL> (1,369)
N/A

$$$$
WAY-278559-A
csChFnd80/08142011082D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  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
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 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
 15 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
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,370)
1371

>  <Formula> (1,370)
C17H23N3O

>  <MolWeight> (1,370)
285.38402

>  <Cat> (1,370)
P3294

>  <Name> (1,370)
WAY-278559-A

>  <Synonyms> (1,370)
N/A

>  <Target> (1,370)
ethanolamine kinase

>  <Form> (1,370)
free base

>  <CAS> (1,370)
301330-81-4

>  <URL> (1,370)
N/A

$$$$
WAY-642481
csChFnd80/08142011082D

 21 23  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
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 17  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,371)
1372

>  <Formula> (1,371)
C17H16N2OS

>  <MolWeight> (1,371)
296.38674

>  <Cat> (1,371)
P3501

>  <Name> (1,371)
WAY-642481

>  <Synonyms> (1,371)
N/A

>  <Target> (1,371)
CDK

>  <Form> (1,371)
free base

>  <CAS> (1,371)
22312-45-4

>  <URL> (1,371)
N/A

$$$$
WAY-643632-A
csChFnd80/08142011082D

 15 16  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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,372)
1373

>  <Formula> (1,372)
C11H14N2O2

>  <MolWeight> (1,372)
206.24106

>  <Cat> (1,372)
P3502

>  <Name> (1,372)
WAY-643632-A

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
SRC kinase,TTX-S channel

>  <Form> (1,372)
free base

>  <CAS> (1,372)
500356-88-7

>  <URL> (1,372)
N/A

$$$$
WAY-616763
csChFnd80/08142011082D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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M  END
>  <Mol_ID> (1,373)
1374

>  <Formula> (1,373)
C18H15Cl2N3O4S

>  <MolWeight> (1,373)
440.3004

>  <Cat> (1,373)
P3456

>  <Name> (1,373)
WAY-616763

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
Anti-infection

>  <Form> (1,373)
free base

>  <CAS> (1,373)
735303-62-5

>  <URL> (1,373)
N/A

$$$$
WAY-641966
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,374)
1375

>  <Formula> (1,374)
C20H16N4

>  <MolWeight> (1,374)
312.36784

>  <Cat> (1,374)
P3499

>  <Name> (1,374)
WAY-641966

>  <Synonyms> (1,374)
N/A

>  <Target> (1,374)
TGF-¦Â,p38-¦Á

>  <Form> (1,374)
free base

>  <CAS> (1,374)
259870-32-1

>  <URL> (1,374)
N/A

$$$$
WAY-642424
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,375)
1376

>  <Formula> (1,375)
C19H14FN5OS

>  <MolWeight> (1,375)
379.4107632

>  <Cat> (1,375)
P3500

>  <Name> (1,375)
WAY-642424

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
Casein kinase 1¦Ä

>  <Form> (1,375)
free base

>  <CAS> (1,375)
851396-73-1

>  <URL> (1,375)
N/A

$$$$
WAY-329592
csChFnd80/08142011082D

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 11  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,376)
1377

>  <Formula> (1,376)
C22H25BrN2O4S

>  <MolWeight> (1,376)
493.4139

>  <Cat> (1,376)
P3368

>  <Name> (1,376)
WAY-329592

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
tyrosine kinase

>  <Form> (1,376)
free base

>  <CAS> (1,376)
868963-53-5

>  <URL> (1,376)
N/A

$$$$
WAY-333939
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,377)
1378

>  <Formula> (1,377)
C19H21N5O2

>  <MolWeight> (1,377)
351.40234

>  <Cat> (1,377)
P3384

>  <Name> (1,377)
WAY-333939

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
Anti-infection

>  <Form> (1,377)
free base

>  <CAS> (1,377)
689268-14-2

>  <URL> (1,377)
N/A

$$$$
WAY-333908
csChFnd80/08142011082D

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>  <Synonyms> (1,378)
N/A

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others

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free base

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689269-24-7

>  <URL> (1,378)
N/A

$$$$
WAY-333945
csChFnd80/08142011082D

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>  <Mol_ID> (1,379)
1380

>  <Formula> (1,379)
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351.38242

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P3385

>  <Name> (1,379)
WAY-333945

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Anti-infection

>  <Form> (1,379)
free base

>  <CAS> (1,379)
689273-45-8

>  <URL> (1,379)
N/A

$$$$
WAY-616584
csChFnd80/08142011082D

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>  <Mol_ID> (1,380)
1381

>  <Formula> (1,380)
C16H13N3O2S

>  <MolWeight> (1,380)
311.35832

>  <Cat> (1,380)
P3455

>  <Name> (1,380)
WAY-616584

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
Casein kinase 1¦Ä

>  <Form> (1,380)
free base

>  <CAS> (1,380)
695223-53-1

>  <URL> (1,380)
N/A

$$$$
WAY-625530
csChFnd80/08142011082D

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>  <Mol_ID> (1,381)
1382

>  <Formula> (1,381)
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>  <MolWeight> (1,381)
412.8413232

>  <Cat> (1,381)
P3466

>  <Name> (1,381)
WAY-625530

>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
FGFR1

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free base

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956782-57-3

>  <URL> (1,381)
N/A

$$$$
WAY-625741
csChFnd80/08142011082D

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>  <Name> (1,382)
WAY-625741

>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
Casein kinase 1d

>  <Form> (1,382)
free base

>  <CAS> (1,382)
756857-71-3

>  <URL> (1,382)
N/A

$$$$
WAY-626116
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,383)
1384

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>  <Name> (1,383)
WAY-626116

>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
Casein kinase 1d

>  <Form> (1,383)
free base

>  <CAS> (1,383)
753468-25-6

>  <URL> (1,383)
N/A

$$$$
WAY-273170
csChFnd80/08142011082D

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1385

>  <Formula> (1,384)
C19H13ClN4O2S

>  <MolWeight> (1,384)
396.85012

>  <Cat> (1,384)
P3289

>  <Name> (1,384)
WAY-273170

>  <Synonyms> (1,384)
N/A

>  <Target> (1,384)
Myt1

>  <Form> (1,384)
free base

>  <CAS> (1,384)
478247-52-8

>  <URL> (1,384)
N/A

$$$$
WAY-277054
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,385)
1386

>  <Formula> (1,385)
C16H11ClFN3OS2

>  <MolWeight> (1,385)
379.8594432

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P3290

>  <Name> (1,385)
WAY-277054

>  <Synonyms> (1,385)
N/A

>  <Target> (1,385)
tyrosine kinase

>  <Form> (1,385)
free base

>  <CAS> (1,385)
753467-39-9?

>  <URL> (1,385)
N/A

$$$$
WAY-336715
csChFnd80/08142011082D

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>  <Name> (1,386)
WAY-336715

>  <Synonyms> (1,386)
N/A

>  <Target> (1,386)
CDK8

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free base

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451458-32-5

>  <URL> (1,386)
N/A

$$$$
WAY-337647
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,387)
1388

>  <Formula> (1,387)
C15H12ClNO4

>  <MolWeight> (1,387)
305.71308

>  <Cat> (1,387)
P3387

>  <Name> (1,387)
WAY-337647

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,387)
free base

>  <CAS> (1,387)
1402605-80-4

>  <URL> (1,387)
N/A

$$$$
WAY-612453
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,388)
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>  <Formula> (1,388)
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>  <Name> (1,388)
WAY-612453

>  <Synonyms> (1,388)
N/A

>  <Target> (1,388)
Anti-infection

>  <Form> (1,388)
free base

>  <CAS> (1,388)
300809-10-3

>  <URL> (1,388)
N/A

$$$$
WAY-612622
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,389)
1390

>  <Formula> (1,389)
C16H11FN2O2

>  <MolWeight> (1,389)
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>  <Cat> (1,389)
P3447

>  <Name> (1,389)
WAY-612622

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
CDK

>  <Form> (1,389)
free base

>  <CAS> (1,389)
288401-60-5

>  <URL> (1,389)
N/A

$$$$
WAY-612698
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,390)
1391

>  <Formula> (1,390)
C17H19NO4S

>  <MolWeight> (1,390)
333.40206

>  <Cat> (1,390)
P3448

>  <Name> (1,390)
WAY-612698

>  <Synonyms> (1,390)
N/A

>  <Target> (1,390)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,390)
free base

>  <CAS> (1,390)
565191-45-9

>  <URL> (1,390)
N/A

$$$$
WAY-612763
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,391)
1392

>  <Formula> (1,391)
C21H15ClF3N3O5

>  <MolWeight> (1,391)
481.8091096

>  <Cat> (1,391)
P3449

>  <Name> (1,391)
WAY-612763

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
YycG histidine kinase

>  <Form> (1,391)
free base

>  <CAS> (1,391)
479060-67-8

>  <URL> (1,391)
N/A

$$$$
WAY-630308
csChFnd80/08142011082D

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N/A

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Casein kinase 1¦Ä

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free base

>  <CAS> (1,392)
326034-30-4

>  <URL> (1,392)
N/A

$$$$
WAY-630363
csChFnd80/08142011082D

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>  <Synonyms> (1,393)
N/A

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Casein kinase 1¦Ä

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free base

>  <CAS> (1,393)
729579-66-2

>  <URL> (1,393)
N/A

$$$$
WAY-647361
csChFnd80/08142011082D

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>  <Synonyms> (1,394)
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>  <Target> (1,394)
 PI3K

>  <Form> (1,394)
free base

>  <CAS> (1,394)
852399-94-1

>  <URL> (1,394)
N/A

$$$$
WAY-647636
csChFnd80/08142011082D

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WAY-647636

>  <Synonyms> (1,395)
N/A

>  <Target> (1,395)
Casein kinase 1¦Ä

>  <Form> (1,395)
free base

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556055-08-4

>  <URL> (1,395)
N/A

$$$$
WAY-647729
csChFnd80/08142011082D

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>  <Mol_ID> (1,396)
1397

>  <Formula> (1,396)
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>  <MolWeight> (1,396)
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>  <Cat> (1,396)
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>  <Name> (1,396)
WAY-647729

>  <Synonyms> (1,396)
N/A

>  <Target> (1,396)
CDK

>  <Form> (1,396)
free base

>  <CAS> (1,396)
852678-17-2

>  <URL> (1,396)
N/A

$$$$
WAY-647766
csChFnd80/08142011082D

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M  END
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C16H12N6S

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P3507

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WAY-647766

>  <Synonyms> (1,397)
N/A

>  <Target> (1,397)
Casein kinase 1¦Ä

>  <Form> (1,397)
free base

>  <CAS> (1,397)
851168-98-4

>  <URL> (1,397)
N/A

$$$$
WAY-647802
csChFnd80/08142011082D

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>  <Formula> (1,398)
C11H14N4O3

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250.25386

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P3508

>  <Name> (1,398)
WAY-647802

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
EGFR,CDK4 and 6

>  <Form> (1,398)
free base

>  <CAS> (1,398)
852225-20-8

>  <URL> (1,398)
N/A

$$$$
WAY-648936
csChFnd80/08142011082D

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>  <Mol_ID> (1,399)
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>  <Formula> (1,399)
C13H10N4O

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>  <Name> (1,399)
WAY-648936

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
CDK

>  <Form> (1,399)
free base

>  <CAS> (1,399)
796888-73-8

>  <URL> (1,399)
N/A

$$$$
WAY-649123
csChFnd80/08142011082D

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>  <Mol_ID> (1,400)
1401

>  <Formula> (1,400)
C21H18N4

>  <MolWeight> (1,400)
326.39442

>  <Cat> (1,400)
P3510

>  <Name> (1,400)
WAY-649123

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
TGF-¦Â,p38-a

>  <Form> (1,400)
free base

>  <CAS> (1,400)
801244-46-2

>  <URL> (1,400)
N/A

$$$$
WL-300778
csChFnd80/08142011082D

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>  <Formula> (1,401)
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>  <MolWeight> (1,401)
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>  <Cat> (1,401)
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>  <Name> (1,401)
WL-300778

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
ROCK,Pteridine Reductase 1

>  <Form> (1,401)
free base

>  <CAS> (1,401)
802980-14-9

>  <URL> (1,401)
N/A

$$$$
CL-104773
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,402)
1403

>  <Formula> (1,402)
C17H14N2O

>  <MolWeight> (1,402)
262.30586

>  <Cat> (1,402)
P3253

>  <Name> (1,402)
CL-104773

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,402)
free base

>  <CAS> (1,402)
802980-92-3

>  <URL> (1,402)
N/A

$$$$
WAY-269040
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,403)
1404

>  <Formula> (1,403)
C20H23N3OS

>  <MolWeight> (1,403)
353.48112

>  <Cat> (1,403)
P3271

>  <Name> (1,403)
WAY-269040

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
Anti-infection

>  <Form> (1,403)
free base

>  <CAS> (1,403)
846065-09-6

>  <URL> (1,403)
N/A

$$$$
WAY-339696
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,404)
1405

>  <Formula> (1,404)
C16H11BrN2O3

>  <MolWeight> (1,404)
359.17414

>  <Cat> (1,404)
P3388

>  <Name> (1,404)
WAY-339696

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
 EGFR-T790M/L858R

>  <Form> (1,404)
free base

>  <CAS> (1,404)
333419-97-9

>  <URL> (1,404)
N/A

$$$$
WAY-349290
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,405)
1406

>  <Formula> (1,405)
C12H7ClN2OS

>  <MolWeight> (1,405)
262.71478

>  <Cat> (1,405)
P3396

>  <Name> (1,405)
WAY-349290

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
Pim,MCH receptor

>  <Form> (1,405)
free base

>  <CAS> (1,405)
215928-66-8

>  <URL> (1,405)
N/A

$$$$
WAY-613473
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,406)
1407

>  <Formula> (1,406)
C20H16N4O3S

>  <MolWeight> (1,406)
392.43104

>  <Cat> (1,406)
P3450

>  <Name> (1,406)
WAY-613473

>  <Synonyms> (1,406)
N/A

>  <Target> (1,406)
HIV,JAK-2,PI3K

>  <Form> (1,406)
free base

>  <CAS> (1,406)
301357-74-4

>  <URL> (1,406)
N/A

$$$$
WAY-613991
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,407)
1408

>  <Formula> (1,407)
C23H17N3O4

>  <MolWeight> (1,407)
399.39878

>  <Cat> (1,407)
P3451

>  <Name> (1,407)
WAY-613991

>  <Synonyms> (1,407)
N/A

>  <Target> (1,407)
Casein kinase 1d

>  <Form> (1,407)
free base

>  <CAS> (1,407)
565167-37-5

>  <URL> (1,407)
N/A

$$$$
WAY-630998
csChFnd80/08142011082D

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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> (1,408)
N/A

$$$$
WAY-631127
csChFnd80/08142011082D

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431.87102

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P3472

>  <Name> (1,409)
WAY-631127

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
Casein kinase 1¦Ä

>  <Form> (1,409)
free base

>  <CAS> (1,409)
756849-12-4

>  <URL> (1,409)
N/A

$$$$
WAY-631545
csChFnd80/08142011082D

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>  <Mol_ID> (1,410)
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>  <Formula> (1,410)
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>  <Cat> (1,410)
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>  <Name> (1,410)
WAY-631545

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
others

>  <Form> (1,410)
free base

>  <CAS> (1,410)
681260-56-0

>  <URL> (1,410)
N/A

$$$$
WAY-632021
csChFnd80/08142011082D

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>  <Mol_ID> (1,411)
1412

>  <Formula> (1,411)
C13H10ClN3S

>  <MolWeight> (1,411)
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>  <Cat> (1,411)
P3474

>  <Name> (1,411)
WAY-632021

>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,411)
free base

>  <CAS> (1,411)
742094-64-0

>  <URL> (1,411)
N/A

$$$$
WAY-632323
csChFnd80/08142011082D

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>  <Mol_ID> (1,412)
1413

>  <Formula> (1,412)
C18H15N5S2

>  <MolWeight> (1,412)
365.4752

>  <Cat> (1,412)
P3475

>  <Name> (1,412)
WAY-632323

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
Casein kinase 1¦Ä

>  <Form> (1,412)
free base

>  <CAS> (1,412)
782457-22-1

>  <URL> (1,412)
N/A

$$$$
WAY-650313
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,413)
1414

>  <Formula> (1,413)
C23H18FN3O

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371.4069232

>  <Cat> (1,413)
P3511

>  <Name> (1,413)
WAY-650313

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
Casein kinase 1¦Ä

>  <Form> (1,413)
free base

>  <CAS> (1,413)
847772-08-1

>  <URL> (1,413)
N/A

$$$$
WAY-650886
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,414)
1415

>  <Formula> (1,414)
C19H16N4O2

>  <MolWeight> (1,414)
332.35594

>  <Cat> (1,414)
P3512

>  <Name> (1,414)
WAY-650886

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
Casein kinase 1¦Ä

>  <Form> (1,414)
free base

>  <CAS> (1,414)
848066-61-5

>  <URL> (1,414)
N/A

$$$$
WAY-651445
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,415)
1416

>  <Formula> (1,415)
C18H13N3O2S

>  <MolWeight> (1,415)
335.37972

>  <Cat> (1,415)
P3513

>  <Name> (1,415)
WAY-651445

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
LIMK1£¬IkB

>  <Form> (1,415)
free base

>  <CAS> (1,415)
848289-47-4

>  <URL> (1,415)
N/A

$$$$
GI-555736
csChFnd80/08142011082D

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>  <Mol_ID> (1,416)
1417

>  <Formula> (1,416)
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>  <MolWeight> (1,416)
208.25848

>  <Cat> (1,416)
P3257

>  <Name> (1,416)
GI-555736

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
PDGFR

>  <Form> (1,416)
free base

>  <CAS> (1,416)
848342-16-5

>  <URL> (1,416)
N/A

$$$$
WAY-270318
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,417)
1418

>  <Formula> (1,417)
C14H14N4OS

>  <MolWeight> (1,417)
286.35216

>  <Cat> (1,417)
P3272

>  <Name> (1,417)
WAY-270318

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
protein kinase

>  <Form> (1,417)
free base

>  <CAS> (1,417)
721964-48-3

>  <URL> (1,417)
N/A

$$$$
WAY-270329
csChFnd80/08142011082D

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  6  3  1  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,418)
1419

>  <Formula> (1,418)
C21H18FN5O2S

>  <MolWeight> (1,418)
423.4633232

>  <Cat> (1,418)
P3273

>  <Name> (1,418)
WAY-270329

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
protein kinase

>  <Form> (1,418)
free base

>  <CAS> (1,418)
721964-51-8

>  <URL> (1,418)
N/A

$$$$
WAY-270382
csChFnd80/08142011082D

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 10  3  2  0  0  0  0
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 12  9  2  0  0  0  0
 13 20  2  0  0  0  0
 14  7  1  0  0  0  0
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  5  4  1  0  0  0  0
 11 17  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,419)
1420

>  <Formula> (1,419)
C16H10N2O3S2

>  <MolWeight> (1,419)
342.3922

>  <Cat> (1,419)
P3274

>  <Name> (1,419)
WAY-270382

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
Metallo-b-lactamase,ASK1

>  <Form> (1,419)
free base

>  <CAS> (1,419)
1427537-93-6

>  <URL> (1,419)
N/A

$$$$
WAY-270444
csChFnd80/08142011082D

 22 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
 11 16  1  0  0  0  0
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 13 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
  6  9  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,420)
1421

>  <Formula> (1,420)
C17H16N2O3

>  <MolWeight> (1,420)
296.32054

>  <Cat> (1,420)
P3275

>  <Name> (1,420)
WAY-270444

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
Hsp90,PDK4,PPAR

>  <Form> (1,420)
free base

>  <CAS> (1,420)
394237-61-7

>  <URL> (1,420)
N/A

$$$$
WAY-270599
csChFnd80/08142011082D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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 15 18  1  0  0  0  0
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 21 23  2  0  0  0  0
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  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1422

>  <Formula> (1,421)
C17H11ClN2O4S

>  <MolWeight> (1,421)
374.79824

>  <Cat> (1,421)
P3276

>  <Name> (1,421)
WAY-270599

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
FGFR1,TNFa

>  <Form> (1,421)
free base

>  <CAS> (1,421)
397281-20-8

>  <URL> (1,421)
N/A

$$$$
WAY-270947
csChFnd80/08142011082D

 26 29  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
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 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14 23  2  0  0  0  0
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 16 12  1  0  0  0  0
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 19  6  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 18 21  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,422)
1423

>  <Formula> (1,422)
C17H14BrN7O

>  <MolWeight> (1,422)
412.24336

>  <Cat> (1,422)
P3277

>  <Name> (1,422)
WAY-270947

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
ALK5

>  <Form> (1,422)
free base

>  <CAS> (1,422)
1198579-20-2

>  <URL> (1,422)
N/A

$$$$
WAY-270966
csChFnd80/08142011082D

 23 25  0  0  0  0  0  0  0  0999 V2000
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N/A

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p38

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free base

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421578-44-1

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N/A

$$$$
WAY-270968
csChFnd80/08142011082D

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332.4156232

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WAY-270968

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N/A

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p38

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free base

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421578-46-3

>  <URL> (1,424)
N/A

$$$$
WAY-271147
csChFnd80/08142011082D

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C17H12N2O4

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WAY-271147

>  <Synonyms> (1,425)
N/A

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VEGFR

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free base

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683235-34-9

>  <URL> (1,425)
N/A

$$$$
WAY-600632
csChFnd80/08142011082D

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1427

>  <Formula> (1,426)
C14H9N3O2S2

>  <MolWeight> (1,426)
315.37016

>  <Cat> (1,426)
P3423

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WAY-600632

>  <Synonyms> (1,426)
N/A

>  <Target> (1,426)
Casein kinase 1¦Ä

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free base

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438018-70-3

>  <URL> (1,426)
N/A

$$$$
WAY-601258
csChFnd80/08142011082D

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1428

>  <Formula> (1,427)
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304.39058

>  <Cat> (1,427)
P3428

>  <Name> (1,427)
WAY-601258

>  <Synonyms> (1,427)
N/A

>  <Target> (1,427)
Anti-infection

>  <Form> (1,427)
free base

>  <CAS> (1,427)
496023-52-0

>  <URL> (1,427)
N/A

$$$$
WAY-601323
csChFnd80/08142011082D

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WAY-601323

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N/A

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CDK9 

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free base

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324778-48-5

>  <URL> (1,428)
N/A

$$$$
WAY-600704-A
csChFnd80/08142011082D

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WAY-600704

>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
ethanolamine kinase

>  <Form> (1,429)
free base

>  <CAS> (1,429)
301330-94-9

>  <URL> (1,429)
N/A

$$$$
WAY-600868
csChFnd80/08142011082D

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1431

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WAY-600868

>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
FGFR3

>  <Form> (1,430)
free base

>  <CAS> (1,430)
348-45-8

>  <URL> (1,430)
N/A

$$$$
WAY-601017
csChFnd80/08142011082D

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1432

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C25H22N6O3S

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WAY-601017

>  <Synonyms> (1,431)
N/A

>  <Target> (1,431)
 PI3K

>  <Form> (1,431)
free base

>  <CAS> (1,431)
300375-81-9

>  <URL> (1,431)
N/A

$$$$
WAY-601035
csChFnd80/08142011082D

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>  <Mol_ID> (1,432)
1433

>  <Formula> (1,432)
C13H9N3OS

>  <MolWeight> (1,432)
255.29506

>  <Cat> (1,432)
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>  <Name> (1,432)
WAY-601035

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
 PI3K

>  <Form> (1,432)
free base

>  <CAS> (1,432)
304645-61-2

>  <URL> (1,432)
N/A

$$$$
WAY-614915
csChFnd80/08142011082D

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>  <Mol_ID> (1,433)
1434

>  <Formula> (1,433)
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>  <MolWeight> (1,433)
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P3452

>  <Name> (1,433)
WAY-614915

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
Casein kinase 1¦Ä

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free base

>  <CAS> (1,433)
450394-66-8

>  <URL> (1,433)
N/A

$$$$
WAY-615029
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,434)
1435

>  <Formula> (1,434)
C14H15N3O4S

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321.3516

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P3453

>  <Name> (1,434)
WAY-615029

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
Kinase

>  <Form> (1,434)
free base

>  <CAS> (1,434)
730945-59-2

>  <URL> (1,434)
N/A

$$$$
WAY-632613
csChFnd80/08142011082D

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 13  3  2  0  0  0  0
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M  END
>  <Mol_ID> (1,435)
1436

>  <Formula> (1,435)
C15H14N2O3S

>  <MolWeight> (1,435)
302.34826

>  <Cat> (1,435)
P3476

>  <Name> (1,435)
WAY-632613

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
p38

>  <Form> (1,435)
free base

>  <CAS> (1,435)
731816-85-6

>  <URL> (1,435)
N/A

$$$$
WAY-632896
csChFnd80/08142011082D

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M  END
>  <Mol_ID> (1,436)
1437

>  <Formula> (1,436)
C14H13N3OS

>  <MolWeight> (1,436)
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>  <Cat> (1,436)
P3477

>  <Name> (1,436)
WAY-632896

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
CDK9,GSK-3

>  <Form> (1,436)
free base

>  <CAS> (1,436)
784170-07-6

>  <URL> (1,436)
N/A

$$$$
WAY-632963-A
csChFnd80/08142011082D

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 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,437)
1438

>  <Formula> (1,437)
C11H12ClN3O

>  <MolWeight> (1,437)
237.68548

>  <Cat> (1,437)
P3478

>  <Name> (1,437)
WAY-632963

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
Aurora kinase A

>  <Form> (1,437)
free base

>  <CAS> (1,437)
900640-73-5

>  <URL> (1,437)
N/A

$$$$
WAY-633334
csChFnd80/08142011082D

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 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
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 15  6  1  0  0  0  0
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 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
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 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,438)
1439

>  <Formula> (1,438)
C15H15N3O2S

>  <MolWeight> (1,438)
301.3635

>  <Cat> (1,438)
P3479

>  <Name> (1,438)
WAY-633334

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
Casein kinase 1¦Ä

>  <Form> (1,438)
free base

>  <CAS> (1,438)
757224-44-5

>  <URL> (1,438)
N/A

$$$$
WAY-633877
csChFnd80/08142011082D

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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 23  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24  2  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 29 27  1  0  0  0  0
 10  7  2  0  0  0  0
  8  5  1  0  0  0  0
 11  9  1  0  0  0  0
 29 28  1  0  0  0  0
 18 16  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,439)
1440

>  <Formula> (1,439)
C21H19N5O3

>  <MolWeight> (1,439)
389.40726

>  <Cat> (1,439)
P3480

>  <Name> (1,439)
WAY-633877

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
Casein kinase 1¦Ä

>  <Form> (1,439)
free base

>  <CAS> (1,439)
782452-74-8

>  <URL> (1,439)
N/A

$$$$
