untitled.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (1)
1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

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S1003

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

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

>  <Name> (2)
Axitinib

>  <Synonyms> (2)
AG 013736

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

>  <Form> (2)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09261916562D

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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
csChFnd80/09261916562D

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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
csChFnd80/09261916562D

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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
csChFnd80/09261916562D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (6)
7

>  <Formula> (6)
C25H27FN4O3

>  <MolWeight> (6)
450.5052832

>  <Cat> (6)
S1017

>  <Name> (6)
Cediranib (AZD2171)

>  <Synonyms> (6)
Recentin 

>  <Target> (6)
VEGFR, Flt

>  <Form> (6)
Free Base

>  <CAS> (6)
288383-20-0

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

$$$$
CI1040.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (7)
8

>  <Formula> (7)
C17H14ClF2IN2O2

>  <MolWeight> (7)
478.6595364

>  <Cat> (7)
S1020

>  <Name> (7)
CI-1040 (PD184352)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
MEK 

>  <Form> (7)
Free Base

>  <CAS> (7)
212631-79-3

>  <URL> (7)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
Dasatinib.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (8)
9

>  <Formula> (8)
C22H26ClN7O2S

>  <MolWeight> (8)
488.00554

>  <Cat> (8)
S1021

>  <Name> (8)
Dasatinib

>  <Synonyms> (8)
BMS-354825

>  <Target> (8)
Src, Bcr-Abl, c-Kit

>  <Form> (8)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (9)
10

>  <Formula> (9)
C53H84NO14P

>  <MolWeight> (9)
990.206121

>  <Cat> (9)
S1022

>  <Name> (9)
Deforolimus (MK-8669) 

>  <Synonyms> (9)
AP23573, MK-8669

>  <Target> (9)
mTOR

>  <Form> (9)
Free Base

>  <CAS> (9)
572924-54-0

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

$$$$

csChFnd80/09261916562D

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>  <Mol_ID> (10)
11

>  <Formula> (10)
C21H21FN6O

>  <MolWeight> (10)
392.4294432

>  <Cat> (10)
S1018

>  <Name> (10)
Dovitinib (TKI-258, CHIR-258)

>  <Synonyms> (10)
N/A

>  <Target> (10)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (10)
Free base

>  <CAS> (10)
405169-16-6

>  <URL> (10)
http://www.selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (11)
12

>  <Formula> (11)
C22H24ClFN4O3

>  <MolWeight> (11)
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>  <Cat> (11)
S1025

>  <Name> (11)
Gefitinib (ZD1839)

>  <Synonyms> (11)
N/A

>  <Target> (11)
EGFR

>  <Form> (11)
Free Base

>  <CAS> (11)
184475-35-2

>  <URL> (11)
http://www.selleckchem.com/products/Gefitinib.html

$$$$
Imatinib Mesylate.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (12)
13

>  <Formula> (12)
C30H35N7O4S

>  <MolWeight> (12)
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>  <Cat> (12)
S1026

>  <Name> (12)
Imatinib Mesylate (STI571)

>  <Synonyms> (12)
CGP-57148B, ST-1571 Mesylate

>  <Target> (12)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (12)
Mesylate

>  <CAS> (12)
220127-57-1

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (13)
14

>  <Formula> (13)
C43H42ClFN4O10S3

>  <MolWeight> (13)
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>  <Cat> (13)
S1028

>  <Name> (13)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (13)
GW-57201

>  <Target> (13)
EGFR, HER2

>  <Form> (13)
Ditosylat

>  <CAS> (13)
388082-77-7

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

$$$$
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csChFnd80/09261916562D

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M  END
>  <Mol_ID> (14)
15

>  <Formula> (14)
C22H29N5O9P2

>  <MolWeight> (14)
569.441282

>  <Cat> (14)
S1032

>  <Name> (14)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (14)
AMG-706

>  <Target> (14)
VEGFR, PDGFR, c-Kit

>  <Form> (14)
Diphosphate

>  <CAS> (14)
857876-30-3

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

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (15)
16

>  <Formula> (15)
C28H22F3N7O

>  <MolWeight> (15)
529.5157896

>  <Cat> (15)
S1033

>  <Name> (15)
Nilotinib (AMN-107)

>  <Synonyms> (15)
Tasigna 

>  <Target> (15)
Bcr-Abl

>  <Form> (15)
Free Base

>  <CAS> (15)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (16)
17

>  <Formula> (16)
C21H24ClN7O2S

>  <MolWeight> (16)
473.97896

>  <Cat> (16)
S1035

>  <Name> (16)
Pazopanib HCl

>  <Synonyms> (16)
GW786034

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

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
635702-64-6

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

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (17)
18

>  <Formula> (17)
C16H14F3IN2O4

>  <MolWeight> (17)
482.1930396

>  <Cat> (17)
S1036

>  <Name> (17)
PD0325901

>  <Synonyms> (17)
N/A

>  <Target> (17)
MEK 

>  <Form> (17)
Free Base

>  <CAS> (17)
391210-10-9

>  <URL> (17)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (18)
19

>  <Formula> (18)
C19H16N4O3

>  <MolWeight> (18)
348.35534

>  <Cat> (18)
S1038

>  <Name> (18)
PI-103

>  <Synonyms> (18)
N/A

>  <Target> (18)
DNA-PK, PI3K, mTOR

>  <Form> (18)
Free Base

>  <CAS> (18)
371935-74-9

>  <URL> (18)
http://www.selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
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>  <Mol_ID> (19)
20

>  <Formula> (19)
C51H79NO13

>  <MolWeight> (19)
914.17186

>  <Cat> (19)
S1039

>  <Name> (19)
Rapamycin (Sirolimus)

>  <Synonyms> (19)
N/A 

>  <Target> (19)
mTOR 

>  <Form> (19)
Free Base

>  <CAS> (19)
53123-88-9

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

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (20)
21

>  <Formula> (20)
C28H24ClF3N4O6S

>  <MolWeight> (20)
637.0265696

>  <Cat> (20)
S1040

>  <Name> (20)
Sorafenib Tosylate

>  <Synonyms> (20)
Bay 43-9006 

>  <Target> (20)
VEGFR, PDGFR, Raf

>  <Form> (20)
Tosylate

>  <CAS> (20)
475207-59-1

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

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (21)
22

>  <Formula> (21)
C26H33FN4O7

>  <MolWeight> (21)
532.5612232

>  <Cat> (21)
S1042

>  <Name> (21)
Sunitinib Malate

>  <Synonyms> (21)
N/A

>  <Target> (21)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (21)
Malate

>  <CAS> (21)
341031-54-7

>  <URL> (21)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/09261916562D

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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
23

>  <Formula> (22)
C23H28N8OS

>  <MolWeight> (22)
464.58642

>  <Cat> (22)
S1048

>  <Name> (22)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
Aurora Kinase

>  <Form> (22)
Free Base

>  <CAS> (22)
639089-54-6

>  <URL> (22)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (23)
24

>  <Formula> (23)
C14H23Cl2N3O

>  <MolWeight> (23)
320.25792

>  <Cat> (23)
S1049

>  <Name> (23)
Y-27632 2HCl

>  <Synonyms> (23)
N/A

>  <Target> (23)
ROCK

>  <Form> (23)
Dihydrochloride

>  <CAS> (23)
129830-38-2

>  <URL> (23)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/09261916562D

 39 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
25

>  <Formula> (24)
C32H29N5O2

>  <MolWeight> (24)
515.60496

>  <Cat> (24)
S1055

>  <Name> (24)
Enzastaurin (LY317615)

>  <Synonyms> (24)
N/A 

>  <Target> (24)
PKC 

>  <Form> (24)
Free Base

>  <CAS> (24)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (25)
26

>  <Formula> (25)
C28H30N6OS

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498.6424

>  <Cat> (25)
S1064

>  <Name> (25)
Masitinib (AB1010)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (25)
Free Base

>  <CAS> (25)
790299-79-5

>  <URL> (25)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (26)
27

>  <Formula> (26)
C23H27N7O3S2

>  <MolWeight> (26)
513.63558

>  <Cat> (26)
S1065

>  <Name> (26)
Pictilisib (GDC-0941)

>  <Synonyms> (26)
RG7321

>  <Target> (26)
PI3K 

>  <Form> (26)
Free Base

>  <CAS> (26)
957054-30-7

>  <URL> (26)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (27)
28

>  <Formula> (27)
C22H16N4O3

>  <MolWeight> (27)
384.38744

>  <Cat> (27)
S1067

>  <Name> (27)
SB 431542

>  <Synonyms> (27)
N/A

>  <Target> (27)
TGF-beta/Smad

>  <Form> (27)
Free Base

>  <CAS> (27)
301836-41-9

>  <URL> (27)
http://www.selleckchem.com/products/SB-431542.html

$$$$
1.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (28)
29

>  <Formula> (28)
C19H21F2N7O2

>  <MolWeight> (28)
417.4125464

>  <Cat> (28)
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>  <Name> (28)
ZSTK474

>  <Synonyms> (28)
N/A

>  <Target> (28)
PI3K 

>  <Form> (28)
Free Base

>  <CAS> (28)
475110-96-4

>  <URL> (28)
http://www.selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/09261916562D

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280744-09-4

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p38 MAPK 

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Free Base

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152121-47-6

>  <URL> (30)
http://www.selleckchem.com/products/SB-203580.html

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SB202190 (FHPI)

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N/A

>  <Target> (31)
p38 MAPK 

>  <Form> (31)
Free Base

>  <CAS> (31)
152121-30-7

>  <URL> (31)
http://www.selleckchem.com/products/SB-202190.html

$$$$

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>  <Target> (32)
Akt

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>  <CAS> (32)
1032350-13-2

>  <URL> (32)
http://www.selleckchem.com/products/MK-2206.html

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M  END
>  <Mol_ID> (33)
34

>  <Formula> (33)
C28H30ClN5O4S

>  <MolWeight> (33)
568.0869

>  <Cat> (33)
S1080

>  <Name> (33)
SU11274

>  <Synonyms> (33)
PKI-SU11274

>  <Target> (33)
c-Met 

>  <Form> (33)
Free Base

>  <CAS> (33)
658084-23-2

>  <URL> (33)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (34)
35

>  <Formula> (34)
C19H19FN4O3

>  <MolWeight> (34)
370.3775632

>  <Cat> (34)
S1084

>  <Name> (34)
Brivanib (BMS-540215)

>  <Synonyms> (34)
N/A 

>  <Target> (34)
VEGFR, FGFR

>  <Form> (34)
Free Base

>  <CAS> (34)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (35)
36

>  <Formula> (35)
C28H31N5O

>  <MolWeight> (35)
453.57864

>  <Cat> (35)
S1088

>  <Name> (35)
NVP-ADW742

>  <Synonyms> (35)
ADW742

>  <Target> (35)
IGF-1R

>  <Form> (35)
Free Base

>  <CAS> (35)
475488-23-4

>  <URL> (35)
http://www.selleckchem.com/products/NVP-ADW742.html

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (36)
37

>  <Formula> (36)
C21H17NO3S2

>  <MolWeight> (36)
395.49458

>  <Cat> (36)
S1092

>  <Name> (36)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (36)
N/A

>  <Target> (36)
ATM 

>  <Form> (36)
Free Base

>  <CAS> (36)
587871-26-9

>  <URL> (36)
http://www.selleckchem.com/products/KU-55933.html

$$$$
untitled.cdx
csChFnd80/09261916562D

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41

>  <Formula> (40)
C20H17Cl3N4

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>  <Cat> (40)
S1101

>  <Name> (40)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (40)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (40)
VEGFR, c-Kit, Flt

>  <Form> (40)
Dihydrochloride

>  <CAS> (40)
212141-51-0

>  <URL> (40)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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ZM-447439

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N/A

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Aurora Kinase

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Free Base

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331771-20-1

>  <URL> (41)
http://www.selleckchem.com/products/ZM-447439.html

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GDC-0879

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N/A

>  <Target> (42)
Raf

>  <Form> (42)
Free Base

>  <CAS> (42)
905281-76-7

>  <URL> (42)
http://www.selleckchem.com/products/GDC-0879.html

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LY294002

>  <Synonyms> (43)
N/A

>  <Target> (43)
PI3K 

>  <Form> (43)
Free Base

>  <CAS> (43)
154447-36-6

>  <URL> (43)
http://www.selleckchem.com/products/LY294002.html

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M  END
>  <Mol_ID> (45)
47

>  <Formula> (45)
C26H30N6O3

>  <MolWeight> (45)
474.5548

>  <Cat> (45)
S1107

>  <Name> (45)
Danusertib (PHA-739358)

>  <Synonyms> (45)
N/A 

>  <Target> (45)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (45)
Free Base

>  <CAS> (45)
827318-97-8

>  <URL> (45)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
untitled.cdx
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>  <Mol_ID> (46)
48

>  <Formula> (46)
C28H39N7O3

>  <MolWeight> (46)
521.65436

>  <Cat> (46)
S1109

>  <Name> (46)
BI 2536

>  <Synonyms> (46)
N/A

>  <Target> (46)
PLK

>  <Form> (46)
Free Base

>  <CAS> (46)
755038-02-9

>  <URL> (46)
http://www.selleckchem.com/products/BI-2536.html

$$$$
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>  <Mol_ID> (47)
49

>  <Formula> (47)
C34H34F2N4O6

>  <MolWeight> (47)
632.6537664

>  <Cat> (47)
S1111

>  <Name> (47)
Foretinib (GSK1363089, XL880)

>  <Synonyms> (47)
N/A 

>  <Target> (47)
c-Met, VEGFR

>  <Form> (47)
Free Base

>  <CAS> (47)
849217-64-7

>  <URL> (47)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

$$$$
untitled.cdx
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>  <Target> (48)
c-Met 

>  <Form> (48)
Free Base

>  <CAS> (48)
943540-75-8

>  <URL> (48)
http://www.selleckchem.com/products/JNJ-38877605.html

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>  <Name> (49)
Everolimus (RAD001)

>  <Synonyms> (49)
Certican, Zortress, Afinitor

>  <Target> (49)
mTOR

>  <Form> (49)
Free Base

>  <CAS> (49)
159351-69-6

>  <URL> (49)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
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1028486-01-2

>  <URL> (50)
http://www.selleckchem.com/products/MLN8237.html

$$$$
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>  <Mol_ID> (51)
53

>  <Formula> (51)
C28H24FN3O5

>  <MolWeight> (51)
501.5056632

>  <Cat> (51)
S1119

>  <Name> (51)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (51)
N/A

>  <Target> (51)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (51)
Free Base

>  <CAS> (51)
849217-68-1

>  <URL> (51)
http://www.selleckchem.com/products/XL184.html

$$$$
AT9283.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (52)
54

>  <Formula> (52)
C19H23N7O2

>  <MolWeight> (52)
381.43162

>  <Cat> (52)
S1134

>  <Name> (52)
AT9283

>  <Synonyms> (52)
N/A

>  <Target> (52)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (52)
Free Base

>  <CAS> (52)
896466-04-9

>  <URL> (52)
http://www.selleckchem.com/products/AT9283.html

$$$$

csChFnd80/09261916562D

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>  <Mol_ID> (53)
55

>  <Formula> (53)
C22H24FN5O4

>  <MolWeight> (53)
441.4554632

>  <Cat> (53)
S1138

>  <Name> (53)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (53)
N/A 

>  <Target> (53)
VEGFR, FGFR

>  <Form> (53)
Alaninate

>  <CAS> (53)
649735-63-7

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

$$$$
untitled.cdx
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>  <Mol_ID> (54)
57

>  <Formula> (54)
C17H24N4O2S2

>  <MolWeight> (54)
380.52806

>  <Cat> (54)
S1145

>  <Name> (54)
SNS-032 (BMS-387032)

>  <Synonyms> (54)
BMS-387032

>  <Target> (54)
CDK 

>  <Form> (54)
Free Base

>  <CAS> (54)
345627-80-7

>  <URL> (54)
http://www.selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
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Aurora Kinase

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722544-51-6

>  <URL> (55)
http://www.selleckchem.com/products/AZD1152-HQPA.html

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N/A

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Raf 

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Free Base

>  <CAS> (56)
918505-84-7

>  <URL> (56)
http://www.selleckchem.com/products/PLX-4720.html

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Roscovitine (Seliciclib, CYC202) 

>  <Synonyms> (57)
N/A 

>  <Target> (57)
CDK 

>  <Form> (57)
Free Base

>  <CAS> (57)
186692-46-6 

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

$$$$
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>  <Mol_ID> (58)
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N/A

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EGFR, HER2

>  <Form> (58)
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>  <CAS> (58)
537705-08-1

>  <URL> (58)
http://www.selleckchem.com/products/CP-724714.html

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EGFR

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1214265-56-1

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693228-63-6

>  <URL> (61)
http://www.selleckchem.com/products/CYC116.html

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c-Kit, Raf, VEGFR

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755037-03-7

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EGFR

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Free Base

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1214265-57-2

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70

>  <Formula> (67)
C24H26N4O4

>  <MolWeight> (67)
434.48764

>  <Cat> (67)
S1194

>  <Name> (67)
CUDC-101

>  <Synonyms> (67)
N/A

>  <Target> (67)
HDAC, EGFR, HER2

>  <Form> (67)
Free Base

>  <CAS> (67)
1012054-59-9

>  <URL> (67)
http://www.selleckchem.com/products/CUDC-101.html

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AV-951.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (68)
71

>  <Formula> (68)
C22H19ClN4O5

>  <MolWeight> (68)
454.86306

>  <Cat> (68)
S1207

>  <Name> (68)
Tivozanib (AV-951)

>  <Synonyms> (68)
N/A 

>  <Target> (68)
VEGFR, c-Kit, PDGFR

>  <Form> (68)
Free Base

>  <CAS> (68)
475108-18-0

>  <URL> (68)
http://www.selleckchem.com/products/AV-951.html

$$$$
OSI-930.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (69)
72

>  <Formula> (69)
C22H16F3N3O2S

>  <MolWeight> (69)
443.4415496

>  <Cat> (69)
S1220

>  <Name> (69)
OSI-930

>  <Synonyms> (69)
N/A

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

>  <Form> (69)
Free Base

>  <CAS> (69)
728033-96-3

>  <URL> (69)
http://www.selleckchem.com/products/OSI-930.html

$$$$
KU-0063794.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (70)
73

>  <Formula> (70)
C25H31N5O4

>  <MolWeight> (70)
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>  <Name> (70)
Ku-0063794

>  <Synonyms> (70)
N/A

>  <Target> (70)
mTOR 

>  <Form> (70)
Free Base

>  <CAS> (70)
938440-64-3

>  <URL> (70)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
MP-470.cdx
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N/A 

>  <Target> (71)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (71)
Free Base

>  <CAS> (71)
850879-09-3

>  <URL> (71)
http://www.selleckchem.com/products/MP-470.html

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75

>  <Formula> (72)
C12H9F3N2O2

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>  <Cat> (72)
S1247

>  <Name> (72)
Leflunomide

>  <Synonyms> (72)
Arava

>  <Target> (72)
Dehydrogenase

>  <Form> (72)
Free Base

>  <CAS> (72)
75706-12-6

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

$$$$
JNJ-7706621.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (73)
76

>  <Formula> (73)
C15H12F2N6O3S

>  <MolWeight> (73)
394.3559864

>  <Cat> (73)
S1249

>  <Name> (73)
JNJ-7706621

>  <Synonyms> (73)
N/A 

>  <Target> (73)
CDK, Aurora Kinase

>  <Form> (73)
Free Base

>  <CAS> (73)
443797-96-4

>  <URL> (73)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
PD173074.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (74)
77

>  <Formula> (74)
C28H41N7O3

>  <MolWeight> (74)
523.67024

>  <Cat> (74)
S1264

>  <Name> (74)
PD173074

>  <Synonyms> (74)
N/A

>  <Target> (74)
FGFR, VEGFR

>  <Form> (74)
Free Base

>  <CAS> (74)
219580-11-7

>  <URL> (74)
http://www.selleckchem.com/products/PD-173074.html

$$$$
WYE-354.cdx
csChFnd80/09261916562D

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918504-65-1

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EGFR

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PI3K

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677297-51-7

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ON-01910

>  <Target> (80)
PLK

>  <Form> (80)
Sodium Salt

>  <CAS> (80)
1225497-78-8

>  <URL> (80)
http://www.selleckchem.com/products/ON-01910.html

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>  <Name> (81)
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>  <Synonyms> (81)
N/A

>  <Target> (81)
VEGFR, c-Kit, PDGFR

>  <Form> (81)
Free Base

>  <CAS> (81)
228559-41-9

>  <URL> (81)
http://www.selleckchem.com/products/Ki8751.html

$$$$
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N/A

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Sirtuin

>  <Form> (82)
Free Base

>  <CAS> (82)
501-36-0

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

$$$$
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csChFnd80/09261916562D

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C31H31ClFN7O2

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>  <Name> (83)
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>  <Synonyms> (83)
N/A

>  <Target> (83)
Aurora Kinase

>  <Form> (83)
Free Base

>  <CAS> (83)
1158838-45-9

>  <URL> (83)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
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1226056-71-8

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129-56-6

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http://www.selleckchem.com/products/SP600125.html

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VEGFR, PDGFR , FGFR 

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252916-29-3

>  <URL> (87)
http://www.selleckchem.com/products/TSU-68(SU6668).html

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943319-70-8

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914913-88-5

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1349796-36-6

>  <URL> (97)
http://www.selleckchem.com/products/XL765(SAR245409).html#

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AT7519.cdx
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>  <Target> (98)
CDK 

>  <Form> (98)
Free Base

>  <CAS> (98)
844442-38-2

>  <URL> (98)
http://www.selleckchem.com/products/AT7519.html

$$$$
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>  <Synonyms> (99)
N/A 

>  <Target> (99)
Wee1

>  <Form> (99)
Free Base

>  <CAS> (99)
955365-80-7

>  <URL> (99)
http://www.selleckchem.com/products/MK-1775.html

$$$$
AC220.cdx
csChFnd80/09261916562D

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>  <Synonyms> (100)
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>  <Target> (100)
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>  <CAS> (100)
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>  <URL> (100)
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$$$$
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1094614-84-2

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http://www.selleckchem.com/products/BIX-02188.html

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mTOR

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1009298-09-2

>  <URL> (106)
http://www.selleckchem.com/products/AZD8055.html

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Akt, PDK-1

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Free Base

>  <CAS> (107)
1191951-57-1

>  <URL> (107)
http://www.selleckchem.com/products/PHT-427.html

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Akt, S6 kinase

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Free Base

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857531-00-1

>  <URL> (109)
http://www.selleckchem.com/products/AT7867.html

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>  <Target> (110)
c-Met

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Free Base

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1025720-94-8

>  <URL> (110)
http://www.selleckchem.com/products/BMS-777607.html

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391210-00-7 

>  <URL> (111)
http://www.selleckchem.com/products/PD318088.html

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925701-49-1

>  <URL> (112)
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   10.8741   11.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8741   10.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (113)
118

>  <Formula> (113)
C22H33ClN6

>  <MolWeight> (113)
416.99062

>  <Cat> (113)
S1572

>  <Name> (113)
BS-181 HCl

>  <Synonyms> (113)
N/A

>  <Target> (113)
CDK 

>  <Form> (113)
Hydrochloride

>  <CAS> (113)
1397219-81-6

>  <URL> (113)
http://www.selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/09261916562D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (114)
119

>  <Formula> (114)
C14H18ClN3O2S

>  <MolWeight> (114)
327.82962

>  <Cat> (114)
S1573

>  <Name> (114)
Fasudil HCl (HA-1077)

>  <Synonyms> (114)
AT-877 

>  <Target> (114)
ROCK

>  <Form> (114)
Hydrochloride

>  <CAS> (114)
105628-07-7

>  <URL> (114)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (115)
120

>  <Formula> (115)
C31H37N5O3

>  <MolWeight> (115)
527.65718

>  <Cat> (115)
S1574

>  <Name> (115)
BIRB 796 (Doramapimod)

>  <Synonyms> (115)
N/A

>  <Target> (115)
p38 MAPK

>  <Form> (115)
Free Base

>  <CAS> (115)
285983-48-4

>  <URL> (115)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/09261916562D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (116)
121

>  <Formula> (116)
C26H21N3O2S

>  <MolWeight> (116)
439.52884

>  <Cat> (116)
S1577

>  <Name> (116)
Tie2 kinase inhibitor

>  <Synonyms> (116)
N/A

>  <Target> (116)
Tie-2

>  <Form> (116)
Free Base

>  <CAS> (116)
948557-43-5

>  <URL> (116)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/09261916562D

 38 41  0  0  0  0  0  0  0  0999 V2000
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   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2829  -11.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5618  -11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4986  -10.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985   -9.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8861  -10.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4153  -12.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8024  -12.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6603  -11.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1311   -9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -8.3950    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  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
  6 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
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 17 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 28 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 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (117)
122

>  <Formula> (117)
C27H30Cl2F2N6O

>  <MolWeight> (117)
563.4695064

>  <Cat> (117)
S2686

>  <Name> (117)
NVP-BSK805 2HCl

>  <Synonyms> (117)
N/A

>  <Target> (117)
JAK

>  <Form> (117)
HCl

>  <CAS> (117)
1092499-93-8 (free base)

>  <URL> (117)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/09261916562D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (118)
123

>  <Formula> (118)
C5H9NO3S

>  <MolWeight> (118)
163.19486

>  <Cat> (118)
S1623

>  <Name> (118)
Acetylcysteine

>  <Synonyms> (118)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (118)
AChR

>  <Form> (118)
Free Base

>  <CAS> (118)
616-91-1

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/09261916562D

 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> (119)
124

>  <Formula> (119)
C7H7NO3

>  <MolWeight> (119)
153.13538

>  <Cat> (119)
S1681

>  <Name> (119)
Mesalamine (Lialda)

>  <Synonyms> (119)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (119)
I¦ÊB/IKK

>  <Form> (119)
Free Base

>  <CAS> (119)
89-57-6

>  <URL> (119)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
DCC-2036.cdx
csChFnd80/09261916562D

 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> (120)
125

>  <Formula> (120)
C30H28FN7O3

>  <MolWeight> (120)
553.5868232

>  <Cat> (120)
S2634

>  <Name> (120)
DCC-2036 (Rebastinib)

>  <Synonyms> (120)
N/A 

>  <Target> (120)
Bcr-Abl

>  <Form> (120)
Free Base

>  <CAS> (120)
1020172-07-9

>  <URL> (120)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/09261916562D

 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
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.5724   11.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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
   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721   14.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9511   11.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.6173   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   -2.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    0.7280    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> (121)
126

>  <Formula> (121)
C50H46CaF2N2O8

>  <MolWeight> (121)
880.9836464

>  <Cat> (121)
S1759

>  <Name> (121)
Pitavastatin calcium (Livalo)

>  <Synonyms> (121)
Livalo

>  <Target> (121)
HMG-CoA Reductase

>  <Form> (121)
Calcium salt

>  <CAS> (121)
147526-32-7

>  <URL> (121)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/09261916562D

 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
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 11  9  1  6  0  0  0
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M  END
>  <Mol_ID> (122)
127

>  <Formula> (122)
C10H13N5O4

>  <MolWeight> (122)
267.24132

>  <Cat> (122)
S1784

>  <Name> (122)
Vidarabine (Vira-A)

>  <Synonyms> (122)
Vira-A

>  <Target> (122)
5-alpha Reductase 

>  <Form> (122)
Free Base

>  <CAS> (122)
5536-17-4

>  <URL> (122)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
ADALAT (nifedipine).cdx
csChFnd80/09261916562D

 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
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (123)
128

>  <Formula> (123)
C17H18N2O6

>  <MolWeight> (123)
346.33462

>  <Cat> (123)
S1808

>  <Name> (123)
Nifedipine (Adalat)

>  <Synonyms> (123)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (123)
Calcium Channel

>  <Form> (123)
Free Base

>  <CAS> (123)
21829-25-4

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

$$$$
Methylthiouracil.cdx
csChFnd80/09261916562D

  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
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    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
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  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (124)
130

>  <Formula> (124)
C5H6N2OS

>  <MolWeight> (124)
142.17894

>  <Cat> (124)
S3138

>  <Name> (124)
Methylthiouracil

>  <Synonyms> (124)
N/A

>  <Target> (124)
Others

>  <Form> (124)
Free Base

>  <CAS> (124)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/09261916562D

 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
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    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> (125)
131

>  <Formula> (125)
C4H12ClN5

>  <MolWeight> (125)
165.62458

>  <Cat> (125)
S1950

>  <Name> (125)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (125)
Glucophage, Riomet, Diabex

>  <Target> (125)
Others

>  <Form> (125)
Hydrochloride

>  <CAS> (125)
1115-70-4

>  <URL> (125)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Biochanin A.cdx
csChFnd80/09261916562D

 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
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 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
 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> (126)
132

>  <Formula> (126)
C16H12O5

>  <MolWeight> (126)
284.26348

>  <Cat> (126)
S2377

>  <Name> (126)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (126)
4-Methylgenistein

>  <Target> (126)
FAAH

>  <Form> (126)
Free Base

>  <CAS> (126)
491-80-5

>  <URL> (126)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Indirubin.cdx
csChFnd80/09261916562D

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    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (127)
133

>  <Formula> (127)
C16H10N2O2

>  <MolWeight> (127)
262.2628

>  <Cat> (127)
S2386

>  <Name> (127)
Indirubin

>  <Synonyms> (127)
N/A

>  <Target> (127)
GSK-3

>  <Form> (127)
Free Base

>  <CAS> (127)
479-41-4 

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

$$$$
Quercetin.cdx
csChFnd80/09261916562D

 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
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 10  5  1  0  0  0  0
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  7 13  2  0  0  0  0
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 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (128)
134

>  <Formula> (128)
C15H10O7

>  <MolWeight> (128)
302.2357

>  <Cat> (128)
S2391

>  <Name> (128)
Quercetin (Sophoretin)

>  <Synonyms> (128)
Meletin, Quercetine

>  <Target> (128)
PI3K, PKC, Src, Sirtuin

>  <Form> (128)
Free Base

>  <CAS> (128)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/09261916562D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
135

>  <Formula> (129)
C14H20O7

>  <MolWeight> (129)
300.3044

>  <Cat> (129)
S2396

>  <Name> (129)
Salidroside (Rhodioloside)

>  <Synonyms> (129)
Rhodioloside

>  <Target> (129)
Others

>  <Form> (129)
Free Base

>  <CAS> (129)
10338-51-9

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

$$$$
E7080.cdx
csChFnd80/09261916562D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (130)
136

>  <Formula> (130)
C21H19ClN4O4

>  <MolWeight> (130)
426.85296

>  <Cat> (130)
S1164

>  <Name> (130)
E7080 (Lenvatinib)

>  <Synonyms> (130)
N/A

>  <Target> (130)
VEGFR

>  <Form> (130)
Free Base

>  <CAS> (130)
417716-92-8

>  <URL> (130)
http://www.selleckchem.com/products/E7080.html

$$$$
AZD8330.cdx
csChFnd80/09261916562D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
137

>  <Formula> (131)
C16H17FIN3O4

>  <MolWeight> (131)
461.2267532

>  <Cat> (131)
S2134

>  <Name> (131)
AZD8330

>  <Synonyms> (131)
N/A 

>  <Target> (131)
MEK

>  <Form> (131)
Free Base

>  <CAS> (131)
869357-68-6

>  <URL> (131)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
KW2449.cdx
csChFnd80/09261916562D

 25 28  0  0  0  0  0  0  0  0999 V2000
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Flt, Bcr-Abl, Aurora Kinase

>  <Form> (132)
Free Base

>  <CAS> (132)
1000669-72-6

>  <URL> (132)
http://www.selleckchem.com/products/KW-2449.html

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>  <Synonyms> (133)
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>  <Target> (133)
Raf, VEGFR

>  <Form> (133)
Free Base

>  <CAS> (133)
927880-90-8

>  <URL> (133)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$
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140

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Daphnetin

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N/A 

>  <Target> (134)
DNA/RNA Synthesis

>  <Form> (134)
Free Base

>  <CAS> (134)
486-35-1

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

$$$$
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141

>  <Formula> (135)
C23H25ClFN7O

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Gandotinib (LY2784544)

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N/A

>  <Target> (135)
JAK 

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Free Base

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1229236-86-5

>  <URL> (135)
http://www.selleckchem.com/products/LY2784544.html

$$$$
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EGFR, HER2

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Free Base

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848942-61-0

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http://www.selleckchem.com/products/AZD8931.html

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N/A

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PLK

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Free Base

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929095-18-1

>  <URL> (137)
http://www.selleckchem.com/products/GSK461364.html

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N/A

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Syk, Flt

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Besylate

>  <CAS> (138)
841290-81-1

>  <URL> (138)
http://www.selleckchem.com/products/R406.html

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SGI 1776 free base.cdx
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$$$$
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M  END
>  <Mol_ID> (140)
146

>  <Formula> (140)
C23H15ClF2N4O3

>  <MolWeight> (140)
468.8400064

>  <Cat> (140)
S2201

>  <Name> (140)
BMS 794833

>  <Synonyms> (140)
BMS794833

>  <Target> (140)
c-Met, VEGFR

>  <Form> (140)
Free Base

>  <CAS> (140)
1174046-72-0

>  <URL> (140)
http://www.selleckchem.com/products/BMS-794833.html

$$$$
NVP-BHG712.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (141)
147

>  <Formula> (141)
C26H20F3N7O

>  <MolWeight> (141)
503.4785096

>  <Cat> (141)
S2202

>  <Name> (141)
NVP-BHG712

>  <Synonyms> (141)
N/A

>  <Target> (141)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (141)
Free Base

>  <CAS> (141)
940310-85-0

>  <URL> (141)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
OSI 420.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (142)
148

>  <Formula> (142)
C21H22ClN3O4

>  <MolWeight> (142)
415.87008

>  <Cat> (142)
S2205

>  <Name> (142)
OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (142)
CP-473420 

>  <Target> (142)
EGFR

>  <Form> (142)
Hydrochloride

>  <CAS> (142)
183320-51-6

>  <URL> (142)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
PIK 293.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (143)
149

>  <Formula> (143)
C22H19N7O

>  <MolWeight> (143)
397.43256

>  <Cat> (143)
S2207

>  <Name> (143)
PIK-293

>  <Synonyms> (143)
N/A

>  <Target> (143)
PI3K

>  <Form> (143)
Free Base

>  <CAS> (143)
900185-01-5 

>  <URL> (143)
http://www.selleckchem.com/products/PIK-293.html

$$$$
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>  <Target> (144)
HER2

>  <Form> (144)
Free Base

>  <CAS> (144)
366017-09-6

>  <URL> (144)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

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Torkinib (PP242)

>  <Synonyms> (145)
TORKinib 

>  <Target> (145)
mTOR

>  <Form> (145)
Free Base

>  <CAS> (145)
1092351-67-1

>  <URL> (145)
http://www.selleckchem.com/products/PP242.html

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GSK2118436 

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Raf

>  <Form> (146)
Free Base

>  <CAS> (146)
405554-55-4 

>  <URL> (146)
http://www.selleckchem.com/products/SB590885.html

$$$$
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(-)-Epigallocatechin gallate

>  <Synonyms> (147)
EGCG

>  <Target> (147)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (147)
Free Base

>  <CAS> (147)
989-51-5

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

$$$$
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csChFnd80/09261916562D

 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
    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
    1.2082    3.4951    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
   10.8993    6.2903    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  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 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
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (148)
156

>  <Formula> (148)
C15H10O5

>  <MolWeight> (148)
270.2369

>  <Cat> (148)
S2262

>  <Name> (148)
Apigenin

>  <Synonyms> (148)
N/A

>  <Target> (148)
P450

>  <Form> (148)
Free Base

>  <CAS> (148)
520-36-5

>  <URL> (148)
http://www.selleckchem.com/products/Apigenin.html

$$$$
Asiatic acid.cdx
csChFnd80/09261916562D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    5.2249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    5.2249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.6249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.3249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    8.7249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    3.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953   10.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (149)
157

>  <Formula> (149)
C30H48O5

>  <MolWeight> (149)
488.69912

>  <Cat> (149)
S2266

>  <Name> (149)
Asiatic acid

>  <Synonyms> (149)
N/A

>  <Target> (149)
p38 MAPK

>  <Form> (149)
Free Base

>  <CAS> (149)
464-92-6

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

$$$$
Emodin.cdx
csChFnd80/09261916562D

 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> (150)
158

>  <Formula> (150)
C15H10O5

>  <MolWeight> (150)
270.2369

>  <Cat> (150)
S2295

>  <Name> (150)
Emodin

>  <Synonyms> (150)
N/A

>  <Target> (150)
Dehydrogenase

>  <Form> (150)
Free Base

>  <CAS> (150)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/09261916562D

 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> (151)
159

>  <Formula> (151)
C16H12O4

>  <MolWeight> (151)
268.26408

>  <Cat> (151)
S2299

>  <Name> (151)
Formononetin (Formononetol)

>  <Synonyms> (151)
Biochanin B, Formononetol 

>  <Target> (151)
Others

>  <Form> (151)
Free Base

>  <CAS> (151)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/09261916562D

 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> (152)
160

>  <Formula> (152)
C10H10O4

>  <MolWeight> (152)
194.184

>  <Cat> (152)
S2300

>  <Name> (152)
Fumalic acid (Ferulic acid)

>  <Synonyms> (152)
Ferulic acid

>  <Target> (152)
Others

>  <Form> (152)
Free Base

>  <CAS> (152)
1135-24-6

>  <URL> (152)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Honokiol.cdx
csChFnd80/09261916562D

 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> (153)
161

>  <Formula> (153)
C18H18O2

>  <MolWeight> (153)
266.33432

>  <Cat> (153)
S2310

>  <Name> (153)
Honokiol

>  <Synonyms> (153)
N/A

>  <Target> (153)
Akt, MEK

>  <Form> (153)
Free Base

>  <CAS> (153)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/09261916562D

 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
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    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
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  4  5  1  0  0  0  0
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  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
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 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
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 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> (154)
162

>  <Formula> (154)
C15H10O8

>  <MolWeight> (154)
318.2351

>  <Cat> (154)
S2326

>  <Name> (154)
Myricetin (Cannabiscetin)

>  <Synonyms> (154)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (154)
NULL

>  <Form> (154)
Free Base

>  <CAS> (154)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/09261916562D

 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
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    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
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    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> (155)
163

>  <Formula> (155)
C21H20O12

>  <MolWeight> (155)
464.3763

>  <Cat> (155)
S2327

>  <Name> (155)
Myricitrin (Myricitrine)

>  <Synonyms> (155)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (155)
PKC

>  <Form> (155)
Free Base

>  <CAS> (155)
17912-87-7

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

$$$$
Dihydromyricetin.cdx
csChFnd80/09261916562D

 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
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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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> (156)
164

>  <Formula> (156)
C15H12O8

>  <MolWeight> (156)
320.25098

>  <Cat> (156)
S2399

>  <Name> (156)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (156)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (156)
Others

>  <Form> (156)
Free Base

>  <CAS> (156)
27200-12-0

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

$$$$
Chrysophanic acid.cdx
csChFnd80/09261916562D

 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
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    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (157)
165

>  <Formula> (157)
C15H10O4

>  <MolWeight> (157)
254.2375

>  <Cat> (157)
S2406

>  <Name> (157)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (157)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (157)
EGFR, mTOR

>  <Form> (157)
Free Base

>  <CAS> (157)
481-74-3

>  <URL> (157)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/09261916562D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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4871-97-0

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152459-95-5

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170

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C26H35N7O2S

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TG101209

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N/A

>  <Target> (162)
Flt, JAK, c-RET

>  <Form> (162)
Free Base

>  <CAS> (162)
936091-14-4

>  <URL> (162)
http://www.selleckchem.com/products/tg101209.html

$$$$
AMG900.cdx
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>  <Mol_ID> (163)
171

>  <Formula> (163)
C28H21N7OS

>  <MolWeight> (163)
503.57764

>  <Cat> (163)
S2719

>  <Name> (163)
AMG 900

>  <Synonyms> (163)
N/A

>  <Target> (163)
Aurora Kinase

>  <Form> (163)
Free Base

>  <CAS> (163)
945595-80-2

>  <URL> (163)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/09261916562D

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>  <Mol_ID> (164)
172

>  <Formula> (164)
C22H30Cl2N4O6

>  <MolWeight> (164)
517.4028

>  <Cat> (164)
S2485

>  <Name> (164)
Mitoxantrone 2HCl

>  <Synonyms> (164)
NSC-301739

>  <Target> (164)
Topoisomerase

>  <Form> (164)
Dihydrochloride

>  <CAS> (164)
70476-82-3

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

$$$$
GSK2126458.cdx
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173

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C25H17F2N5O3S

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S2658

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Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (165)
N/A 

>  <Target> (165)
PI3K, mTOR

>  <Form> (165)
Free Base

>  <CAS> (165)
1086062-66-9 

>  <URL> (165)
http://www.selleckchem.com/products/gsk2126458.html

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174

>  <Formula> (166)
C19H34ClNO2

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343.93176

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S5002

>  <Name> (166)
Fingolimod (FTY720) HCl

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Gilenia 

>  <Target> (166)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (166)
Hydrochloride

>  <URL> (166)
http://www.selleckchem.com/products/FTY720.html

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176

>  <Formula> (167)
C22H18FN7O

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415.4230232

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S2226

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CAL-101 (GS-1101)

>  <Synonyms> (167)
CAL101

>  <Target> (167)
PI3K 

>  <Form> (167)
Free Base

>  <CAS> (167)
870281-82-6

>  <URL> (167)
http://www.selleckchem.com/products/CAL-101.html

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N/A 

>  <Target> (168)
PLK 

>  <Form> (168)
Free Base

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755038-65-4

>  <URL> (168)
http://www.selleckchem.com/products/BI6727-Volasertib.html

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PIK-294

>  <Synonyms> (169)
N/A 

>  <Target> (169)
PI3K 

>  <Form> (169)
Free Base

>  <CAS> (169)
900185-02-6

>  <URL> (169)
http://www.selleckchem.com/products/PIK-294.html

$$$$
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csChFnd80/09261916562D

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>  <Mol_ID> (170)
179

>  <Formula> (170)
C20H16ClN5O3

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409.82574

>  <Cat> (170)
S2231

>  <Name> (170)
Telatinib (BAY 57-9352)

>  <Synonyms> (170)
N/A 

>  <Target> (170)
VEGFR, PDGFR, c-Kit

>  <Form> (170)
Free Base

>  <CAS> (170)
332012-40-5

>  <URL> (170)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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Phenformin hydrochloride.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (171)
180

>  <Formula> (171)
C10H16ClN5

>  <MolWeight> (171)
241.72054

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S2542

>  <Name> (171)
Phenformin hydrochloride 

>  <Synonyms> (171)
N/A

>  <Target> (171)
AMPK

>  <Form> (171)
Hydrochloride 

>  <CAS> (171)
834-28-6

>  <URL> (171)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
AZD5438.cdx
csChFnd80/09261916562D

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181

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AZD5438

>  <Synonyms> (172)
N/A 

>  <Target> (172)
CDK

>  <Form> (172)
Free Base

>  <CAS> (172)
602306-29-6 

>  <URL> (172)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/09261916562D

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OSI-027

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N/A 

>  <Target> (173)
mTOR

>  <Form> (173)
Free Base

>  <CAS> (173)
936890-98-1

>  <URL> (173)
http://www.selleckchem.com/products/OSI027.html

$$$$
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1092788-83-4

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http://www.selleckchem.com/products/PP121.html

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PI3K

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944396-07-0

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>  <Target> (176)
PKC

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Free Base

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1009820-21-6

>  <URL> (176)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

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700874-72-2

>  <URL> (177)
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601514-19-6

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http://www.selleckchem.com/products/TWS119.html

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477575-56-7

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

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HSP

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30562-34-6

>  <URL> (198)
http://www.selleckchem.com/products/geldanamycin.html

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218

>  <Formula> (206)
C23H30N8O3S

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>  <Name> (206)
Apitolisib (GDC-0980, RG7422)

>  <Synonyms> (206)
N/A 

>  <Target> (206)
mTOR, PI3K

>  <Form> (206)
Free Base

>  <CAS> (206)
1032754-93-0

>  <URL> (206)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
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csChFnd80/09261916562D

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>  <Mol_ID> (207)
219

>  <Formula> (207)
C21H21Cl2NO5

>  <MolWeight> (207)
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>  <Cat> (207)
S2679

>  <Name> (207)
Flavopiridol (Alvocidib) HCl

>  <Synonyms> (207)
N/A

>  <Target> (207)
CDK

>  <Form> (207)
Hydrochloride

>  <CAS> (207)
131740-09-5

>  <URL> (207)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

$$$$
PH797804.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (208)
220

>  <Formula> (208)
C22H19BrF2N2O3

>  <MolWeight> (208)
477.2986664

>  <Cat> (208)
S2726

>  <Name> (208)
PH-797804

>  <Synonyms> (208)
N/A

>  <Target> (208)
p38 MAPK

>  <Form> (208)
Free Base

>  <CAS> (208)
586379-66-0

>  <URL> (208)
http://www.selleckchem.com/products/ph-797804.html

$$$$
PF299804.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (209)
221

>  <Formula> (209)
C24H25ClFN5O2

>  <MolWeight> (209)
469.9390032

>  <Cat> (209)
S2727

>  <Name> (209)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (209)
N/A

>  <Target> (209)
EGFR

>  <Form> (209)
Free Base

>  <CAS> (209)
1110813-31-4

>  <URL> (209)
http://www.selleckchem.com/products/pf299804.html

$$$$
SB415286.cdx
csChFnd80/09261916562D

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779353-01-4

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1010085-13-8

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M  END
>  <Mol_ID> (215)
227

>  <Formula> (215)
C16H14ClN3O2

>  <MolWeight> (215)
315.75426

>  <Cat> (215)
S2728

>  <Name> (215)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (215)
Tyrphostin AG-1478

>  <Target> (215)
EGFR

>  <Form> (215)
Free Base

>  <CAS> (215)
153436-53-4

>  <URL> (215)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/09261916562D

 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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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (216)
228

>  <Formula> (216)
C22H27N5O4

>  <MolWeight> (216)
425.48088

>  <Cat> (216)
S2743

>  <Name> (216)
PF-04691502

>  <Synonyms> (216)
N/A

>  <Target> (216)
mTOR, PI3K, Akt

>  <Form> (216)
Free Base

>  <CAS> (216)
1013101-36-4 

>  <URL> (216)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/09261916562D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (217)
229

>  <Formula> (217)
C28H32ClN3O6

>  <MolWeight> (217)
542.02318

>  <Cat> (217)
S2017

>  <Name> (217)
Benidipine hydrochloride

>  <Synonyms> (217)
N/A

>  <Target> (217)
calcium channel

>  <Form> (217)
Hydrochloride

>  <CAS> (217)
91599-74-5

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

$$$$
Lonidamine.cdx
csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
230

>  <Formula> (218)
C15H10Cl2N2O2

>  <MolWeight> (218)
321.1581

>  <Cat> (218)
S2610

>  <Name> (218)
Lonidamine

>  <Synonyms> (218)
N/A

>  <Target> (218)
Others

>  <Form> (218)
Free Base

>  <CAS> (218)
50264-69-2

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

$$$$
AMG 458.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (219)
231

>  <Formula> (219)
C30H29N5O5

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539.58176

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AMG458

>  <Synonyms> (219)
N/A

>  <Target> (219)
c-Met

>  <Form> (219)
Free Base

>  <CAS> (219)
913376-83-7 

>  <URL> (219)
http://www.selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (220)
232

>  <Formula> (220)
C29H27N7O4S

>  <MolWeight> (220)
569.63418

>  <Cat> (220)
S2752

>  <Name> (220)
HER2 Inhibitor 1

>  <Synonyms> (220)
N/A

>  <Target> (220)
HER2, EGFR

>  <Form> (220)
Free Base

>  <CAS> (220)
937265-83-3

>  <URL> (220)
http://www.selleckchem.com/products/arry-380.html

$$$$
PHA-848125.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (221)
233

>  <Formula> (221)
C25H32N8O

>  <MolWeight> (221)
460.57458

>  <Cat> (221)
S2751

>  <Name> (221)
PHA-848125

>  <Synonyms> (221)
N/A

>  <Target> (221)
CDK

>  <Form> (221)
Free Base

>  <CAS> (221)
802539-81-7

>  <URL> (221)
http://www.selleckchem.com/products/pha-848125.html

$$$$
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TGF-beta/Smad

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http://www.selleckchem.com/products/gw788388.html

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1245537-68-1

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C25H21N7O3

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PI3K 

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Free Base

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371942-69-7

>  <URL> (226)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
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M  END
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241

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C6H7N5

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3-Methyladenine (3-MA)

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3-MA

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PI3K

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Free Base

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5142-23-4

>  <URL> (227)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
ARQ-197.cdx
csChFnd80/09261916562D

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242

>  <Formula> (228)
C23H19N3O2

>  <MolWeight> (228)
369.41586

>  <Cat> (228)
S2753

>  <Name> (228)
ARQ 197 (Tivantinib)

>  <Synonyms> (228)
N/A 

>  <Target> (228)
c-Met

>  <Form> (228)
Free Base

>  <CAS> (228)
905854-02-6

>  <URL> (228)
http://www.selleckchem.com/products/arq-197.html

$$$$
BX-795.cdx
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243

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C23H26IN7O2S

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BX-795

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N/A

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PDK-1, IKK

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Free Base

>  <CAS> (229)
702675-74-9

>  <URL> (229)
http://www.selleckchem.com/products/bx-795.html

$$$$
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N/A

>  <Target> (230)
PDK-1 

>  <Form> (230)
Free Base

>  <CAS> (230)
702674-56-4

>  <URL> (230)
http://www.selleckchem.com/products/bx-912.html

$$$$
NVP-BVU972.cdx
csChFnd80/09261916562D

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245

>  <Formula> (231)
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>  <MolWeight> (231)
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>  <Name> (231)
NVP-BVU972

>  <Synonyms> (231)
N/A

>  <Target> (231)
c-Met

>  <Form> (231)
Free Base

>  <CAS> (231)
1185763-69-2

>  <URL> (231)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$
CUDC-907.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (232)
246

>  <Formula> (232)
C23H24N8O4S

>  <MolWeight> (232)
508.55286

>  <Cat> (232)
S2759

>  <Name> (232)
CUDC-907

>  <Synonyms> (232)
N/A

>  <Target> (232)
HDAC, PI3K

>  <Form> (232)
Free Base

>  <CAS> (232)
1339928-25-4

>  <URL> (232)
http://www.selleckchem.com/products/cudc-907.html

$$$$

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>  <Mol_ID> (233)
247

>  <Formula> (233)
C27H33FN6O7

>  <MolWeight> (233)
572.5853232

>  <Cat> (233)
S2769

>  <Name> (233)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (233)
CHIR-258 Dilactic acid 

>  <Target> (233)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (233)
Dilactic Acid 

>  <CAS> (233)
852433-84-2

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

$$$$
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694433-59-5

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>  <Mol_ID> (238)
252

>  <Formula> (238)
C14H11N3O3S

>  <MolWeight> (238)
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>  <Cat> (238)
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>  <Name> (238)
Nocodazole

>  <Synonyms> (238)
N/A 

>  <Target> (238)
Microtubule Associated

>  <Form> (238)
Free Base

>  <CAS> (238)
31430-18-9

>  <URL> (238)
http://www.selleckchem.com/products/nocodazole.html

$$$$
AZD2014.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (239)
253

>  <Formula> (239)
C25H30N6O3

>  <MolWeight> (239)
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>  <Cat> (239)
S2783

>  <Name> (239)
Vistusertib (AZD2014)

>  <Synonyms> (239)
N/A 

>  <Target> (239)
mTOR

>  <Form> (239)
Free Base

>  <CAS> (239)
1009298-59-2

>  <URL> (239)
http://www.selleckchem.com/products/azd2014.html

$$$$
TAK-285.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (240)
254

>  <Formula> (240)
C26H25ClF3N5O3

>  <MolWeight> (240)
547.9566096

>  <Cat> (240)
S2784

>  <Name> (240)
TAK-285

>  <Synonyms> (240)
N/A

>  <Target> (240)
EGFR, HER2

>  <Form> (240)
Free Base

>  <CAS> (240)
871026-44-7

>  <URL> (240)
http://www.selleckchem.com/products/tak-285.html

$$$$
Piceatannol.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (241)
257

>  <Formula> (241)
C14H12O4

>  <MolWeight> (241)
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>  <Cat> (241)
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Piceatannol

>  <Synonyms> (241)
N/A 

>  <Target> (241)
Others

>  <Form> (241)
Free Base

>  <CAS> (241)
10083-24-6

>  <URL> (241)
http://www.selleckchem.com/products/piceatannol.html

$$$$
Sotrastaurin£¨AEB071£©.cdx
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193275-84-2

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http://www.selleckchem.com/products/lonafarnib-sch66336.html

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1035270-39-3

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>  <URL> (245)
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1217486-61-7

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>  <Target> (259)
IKK

>  <Form> (259)
Free Base

>  <CAS> (259)
978-62-1

>  <URL> (259)
http://www.selleckchem.com/products/imd-0354.html

$$$$
E7050.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (260)
277

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C33H37F2N7O4

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633.6881864

>  <Cat> (260)
S2859

>  <Name> (260)
Golvatinib (E7050) 

>  <Synonyms> (260)
E7050

>  <Target> (260)
c-Met, VEGFR

>  <Form> (260)
Free Base

>  <CAS> (260)
928037-13-2

>  <URL> (260)
http://www.selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (261)
278

>  <Formula> (261)
C16H14BrN3O3

>  <MolWeight> (261)
376.20466

>  <Cat> (261)
S2867

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WHI-P154

>  <Synonyms> (261)
N/A

>  <Target> (261)
JAK, EGFR

>  <Form> (261)
Free Base

>  <CAS> (261)
211555-04-3

>  <URL> (261)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Schisandrin B.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (262)
279

>  <Formula> (262)
C23H28O6

>  <MolWeight> (262)
400.46482

>  <Cat> (262)
S3600

>  <Name> (262)
Schisandrin B

>  <Synonyms> (262)
N/A

>  <Target> (262)
Others

>  <Form> (262)
Free Base

>  <CAS> (262)
61281-37-6

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

$$$$
IKK-16.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (268)
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>  <Synonyms> (268)
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>  <Target> (268)
VEGFR

>  <Form> (268)
Free Base

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690206-97-4

>  <URL> (268)
http://www.selleckchem.com/products/zm-306416.html

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Paroxetine hydrochloride.cdx
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288

>  <Formula> (269)
C19H21ClFNO3

>  <MolWeight> (269)
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>  <Cat> (269)
S3005

>  <Name> (269)
Paroxetine HCl

>  <Synonyms> (269)
N/A

>  <Target> (269)
5-HT Receptor

>  <Form> (269)
Hydrochloride

>  <CAS> (269)
78246-49-8

>  <URL> (269)
http://www.selleckchem.com/products/paroxetine-hcl.html

$$$$
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289

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C22H25N7O2

>  <MolWeight> (270)
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S2904

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PF 477736

>  <Synonyms> (270)
PF-00477736

>  <Target> (270)
Chk

>  <Form> (270)
Free Base

>  <CAS> (270)
952021-60-2

>  <URL> (270)
http://www.selleckchem.com/products/pf-477736.html

$$$$
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>  <MolWeight> (271)
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Go 6983

>  <Synonyms> (271)
N/A

>  <Target> (271)
PKC

>  <Form> (271)
Free Base

>  <CAS> (271)
133053-19-7

>  <URL> (271)
http://www.selleckchem.com/products/go-6983.html

$$$$
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>  <Mol_ID> (276)
295

>  <Formula> (276)
C24H21N3OS

>  <MolWeight> (276)
399.50804

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S2928

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TAK 715

>  <Synonyms> (276)
N/A 

>  <Target> (276)
p38 MAPK

>  <Form> (276)
Free Base

>  <CAS> (276)
303162-79-0

>  <URL> (276)
http://www.selleckchem.com/products/tak-715.html

$$$$
TDZD-8.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (277)
296

>  <Formula> (277)
C10H10N2O2S

>  <MolWeight> (277)
222.2636

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S2926

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TDZD-8

>  <Synonyms> (277)
N/A

>  <Target> (277)
GSK-3

>  <Form> (277)
Free Base

>  <CAS> (277)
327036-89-5 

>  <URL> (277)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
H-89.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (278)
297

>  <Formula> (278)
C20H22BrCl2N3O2S

>  <MolWeight> (278)
519.28258

>  <Cat> (278)
S1582

>  <Name> (278)
H 89 2HCl

>  <Synonyms> (278)
N/A

>  <Target> (278)
S6 Kinase

>  <Form> (278)
Dihydrochloride

>  <CAS> (278)
130964-39-5

>  <URL> (278)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (279)
298

>  <Formula> (279)
C15H13N3O3S

>  <MolWeight> (279)
315.34702

>  <Cat> (279)
S1830

>  <Name> (279)
Oxfendazole

>  <Synonyms> (279)
N/A

>  <Target> (279)
Antifection

>  <Form> (279)
Free Base

>  <CAS> (279)
53716-50-0

>  <URL> (279)
http://www.selleckchem.com/products/oxfendazole.html

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (280)
299

>  <Formula> (280)
C18H23Cl2NO

>  <MolWeight> (280)
340.28732

>  <Cat> (280)
S2499

>  <Name> (280)
Phenoxybenzamine HCl

>  <Synonyms> (280)
N/A

>  <Target> (280)
Androgen Receptor

>  <Form> (280)
HCl

>  <CAS> (280)
63-92-3

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

$$$$
Pazopanib.cdx
csChFnd80/09261916562D

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C21H23N7O2S

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>  <Name> (281)
Pazopanib

>  <Synonyms> (281)
N/A

>  <Target> (281)
VEGFR

>  <Form> (281)
Free Base

>  <CAS> (281)
444731-52-6

>  <URL> (281)
http://www.selleckchem.com/products/pazopanib.html

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374.3166296

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S2899

>  <Name> (282)
GNF-2

>  <Synonyms> (282)
N/A

>  <Target> (282)
Bcr-Abl

>  <Form> (282)
Free Base

>  <CAS> (282)
778270-11-4

>  <URL> (282)
http://www.selleckchem.com/products/gnf-2.html

$$$$
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303

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C26H23N5O

>  <MolWeight> (283)
421.49372

>  <Cat> (283)
S1091

>  <Name> (283)
OSI-906 (Linsitinib)

>  <Synonyms> (283)
N/A

>  <Target> (283)
IGF-1R

>  <Form> (283)
Free Base

>  <CAS> (283)
867160-71-2

>  <URL> (283)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
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304

>  <Formula> (284)
C9H14N4O5

>  <MolWeight> (284)
258.23126

>  <Cat> (284)
S1802

>  <Name> (284)
AICAR (Acadesine)

>  <Synonyms> (284)
AICAR, AICA-riboside

>  <Target> (284)
AMPK

>  <Form> (284)
Free Base

>  <CAS> (284)
2627-69-2

>  <URL> (284)
http://www.selleckchem.com/products/Acadesine.html

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/09261916562D

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N/A

>  <Target> (285)
VEGFR

>  <Form> (285)
Malate

>  <CAS> (285)
1140909-48-3

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

$$$$
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>  <Synonyms> (286)
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>  <Target> (286)
S6 Kinase

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Free Base

>  <CAS> (286)
1255517-76-0

>  <URL> (286)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
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>  <Formula> (287)
C42H38O20

>  <MolWeight> (287)
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>  <Name> (287)
Sennoside B

>  <Synonyms> (287)
N/A

>  <Target> (287)
Others

>  <Form> (287)
Free Base

>  <CAS> (287)
128-57-4

>  <URL> (287)
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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35943-35-2

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$$$$
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923032-37-5

>  <URL> (294)
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$$$$
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Dicoumarol

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Dicumarol

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Others

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Free Base

>  <CAS> (295)
66-76-2

>  <URL> (295)
http://www.selleckchem.com/products/dicoumarol.html

$$$$
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EGFR

>  <Form> (296)
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>  <URL> (296)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
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C56H87NO16

>  <MolWeight> (297)
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Temsirolimus (CCI-779, NSC 683864)

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N/A

>  <Target> (297)
mTOR

>  <Form> (297)
Free Base

>  <CAS> (297)
162635-04-3

>  <URL> (297)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/09261916562D

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>  <Formula> (298)
C25H31N7O6

>  <MolWeight> (298)
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>  <Cat> (298)
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>  <Name> (298)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (298)
N/A

>  <Target> (298)
FLT3

>  <Form> (298)
Free Base

>  <CAS> (298)
1291074-87-7

>  <URL> (298)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/09261916562D

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>  <Formula> (299)
C21H22Cl2FN5O

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>  <Cat> (299)
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Crizotinib (PF-02341066)

>  <Synonyms> (299)
N/A 

>  <Target> (299)
c-Met, ALK

>  <Form> (299)
Free Base

>  <CAS> (299)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (299)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
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csChFnd80/09261916562D

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AC480 (BMS-599626)

>  <Synonyms> (300)
N/A

>  <Target> (300)
HER2

>  <Form> (300)
Free Base

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714971-09-2

>  <URL> (300)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/09261916562D

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    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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  6 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 14 20  1  6  0  0  0
 15 21  1  1  0  0  0
 17 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (301)
324

>  <Formula> (301)
C21H20ClNO5

>  <MolWeight> (301)
401.8402

>  <Cat> (301)
S1230

>  <Name> (301)
Flavopiridol (Alvocidib)

>  <Synonyms> (301)
NSC 649890 HCl,HMR-1275

>  <Target> (301)
CDK

>  <Form> (301)
Free Base

>  <CAS> (301)
146426-40-6

>  <URL> (301)
http://www.selleckchem.com/products/Flavopiridol.html

$$$$

csChFnd80/09261916562D

 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
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   11.1099   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
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 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (302)
325

>  <Formula> (302)
C6H13Li3O11

>  <MolWeight> (302)
281.98382

>  <Cat> (302)
S4519

>  <Name> (302)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (302)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <CAS> (302)
6080-58-6

>  <URL> (302)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/09261916562D

 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
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    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
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  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5  9  1  1  0  0  0
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  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (303)
326

>  <Formula> (303)
C6H12O5

>  <MolWeight> (303)
164.15648

>  <Cat> (303)
S4701

>  <Name> (303)
2-Deoxy-D-glucose

>  <Synonyms> (303)
2-deoxyglucose, NSC 15193

>  <Target> (303)
Others

>  <Form> (303)
Free Base

>  <CAS> (303)
154-17-6

>  <URL> (303)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/09261916562D

 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
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    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
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    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
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   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (304)
327

>  <Formula> (304)
C21H26ClN3OS

>  <MolWeight> (304)
403.96864

>  <Cat> (304)
S4731

>  <Name> (304)
Perphenazine

>  <Synonyms> (304)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (304)
Dopamine Receptor

>  <Form> (304)
Free Base

>  <CAS> (304)
58-39-9

>  <URL> (304)
http://www.selleckchem.com/products/perphenazine.html

$$$$
S4736 Trapidil.cdx
csChFnd80/09261916562D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    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
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  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (305)
328

>  <Formula> (305)
C10H15N5

>  <MolWeight> (305)
205.2596

>  <Cat> (305)
S4736

>  <Name> (305)
Trapidil

>  <Synonyms> (305)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (305)
PDGFR

>  <Form> (305)
Free Base

>  <CAS> (305)
15421-84-8

>  <URL> (305)
http://www.selleckchem.com/products/trapidil.html

$$$$
S4743 Wogonin.cdx
csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.8438    4.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0572    4.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (306)
329

>  <Formula> (306)
C16H12O5

>  <MolWeight> (306)
284.26348

>  <Cat> (306)
S4743

>  <Name> (306)
Wogonin

>  <Synonyms> (306)
Vogonin

>  <Target> (306)
CDK

>  <Form> (306)
Free Base

>  <CAS> (306)
632-85-9

>  <URL> (306)
http://www.selleckchem.com/products/wogonin.html

$$$$
NS-187.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (307)
330

>  <Formula> (307)
C30H31F3N8O

>  <MolWeight> (307)
576.6153496

>  <Cat> (307)
S1369

>  <Name> (307)
Bafetinib (INNO-406)

>  <Synonyms> (307)
NS-187

>  <Target> (307)
Abl,Lyn

>  <Form> (307)
Free Base

>  <CAS> (307)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (308)
331

>  <Formula> (308)
C37H42Cl2N2O6

>  <MolWeight> (308)
681.64518

>  <Cat> (308)
S3609

>  <Name> (308)
Berbamine (dihydrochloride)

>  <Synonyms> (308)
N/A

>  <Target> (308)
NF-¦ÊB,bcr/abl

>  <Form> (308)
dihydrochloride

>  <CAS> (308)
6078-17-7

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (309)
332

>  <Formula> (309)
C18H16O8

>  <MolWeight> (309)
360.31484

>  <Cat> (309)
S3612

>  <Name> (309)
Rosmarinic acid

>  <Synonyms> (309)
Rosemary acid

>  <Target> (309)
IKK ¦Â

>  <Form> (309)
free base

>  <CAS> (309)
20283-92-5

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (310)
333

>  <Formula> (310)
C37H40N2O6

>  <MolWeight> (310)
608.7233

>  <Cat> (310)
S3606

>  <Name> (310)
Fangchinoline

>  <Synonyms> (310)
N/A

>  <Target> (310)
HIV-1

>  <Form> (310)
free base

>  <CAS> (310)
33889-68-8

>  <URL> (310)
http://www.selleckchem.com/products/fangchinoline.html

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/09261916562D

  7  6  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (311)
334

>  <Formula> (311)
C4H7NO2

>  <MolWeight> (311)
101.10388

>  <Cat> (311)
S3699

>  <Name> (311)
2,3-Butanedione-2-monoxime

>  <Synonyms> (311)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (311)
skeletal muscle myosin-II

>  <Form> (311)
free base

>  <CAS> (311)
57-71-6

>  <URL> (311)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (312)
335

>  <Formula> (312)
C48H78O19

>  <MolWeight> (312)
959.12152

>  <Cat> (312)
S3616

>  <Name> (312)
Asiaticoside

>  <Synonyms> (312)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (312)
Others

>  <Form> (312)
free base

>  <CAS> (312)
16830-15-2

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

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (313)
336

>  <Formula> (313)
C15H18O2

>  <MolWeight> (313)
230.30222

>  <Cat> (313)
S3615

>  <Name> (313)
Dehydrocostus Lactone

>  <Synonyms> (313)
N/A

>  <Target> (313)
 IKK¦Â

>  <Form> (313)
free base

>  <CAS> (313)
477-43-0

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/09261916562D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (314)
337

>  <Formula> (314)
C11H8O3

>  <MolWeight> (314)
188.17942

>  <Cat> (314)
S3661

>  <Name> (314)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (314)
N/A

>  <Target> (314)
PKC

>  <Form> (314)
free base

>  <CAS> (314)
2348-82-5

>  <URL> (314)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/09261916562D

 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
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M  END
>  <Mol_ID> (315)
338

>  <Formula> (315)
C16H14N2O4

>  <MolWeight> (315)
298.29336

>  <Cat> (315)
S3648

>  <Name> (315)
Amlexanox

>  <Synonyms> (315)
AA-673, CHX-3673

>  <Target> (315)
TBK1,IKK-¦Å

>  <Form> (315)
free base

>  <CAS> (315)
68302-57-8

>  <URL> (315)
http://www.selleckchem.com/products/amlexanox.html

$$$$
Solanesol.cdx
csChFnd80/09261916562D

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   10.9288    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (316)
339

>  <Formula> (316)
C45H74O

>  <MolWeight> (316)
631.06846

>  <Cat> (316)
S2360

>  <Name> (316)
Solanesol (Nonaisoprenol)

>  <Synonyms> (316)
Nonaisoprenol, Betulanonaprenol

>  <Target> (316)
FAK

>  <Form> (316)
free base

>  <CAS> (316)
13190-97-1

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

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (317)
340

>  <Formula> (317)
C13H13ClN2O

>  <MolWeight> (317)
248.70812

>  <Cat> (317)
S3817

>  <Name> (317)
Harmine hydrochloride

>  <Synonyms> (317)
telepathine hydrochloride

>  <Target> (317)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (317)
hydrochloride

>  <CAS> (317)
343-27-1

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

$$$$
S3824 Quercitrin.cdx
csChFnd80/09261916562D

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 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (318)
341

>  <Formula> (318)
C21H20O11

>  <MolWeight> (318)
448.3769

>  <Cat> (318)
S3824

>  <Name> (318)
Quercitrin

>  <Synonyms> (318)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (318)
Others

>  <Form> (318)
free base

>  <CAS> (318)
522-12-3

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/09261916562D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (319)
342

>  <Formula> (319)
C17H26O4

>  <MolWeight> (319)
294.38594

>  <Cat> (319)
S3836

>  <Name> (319)
6-Gingerol

>  <Synonyms> (319)
CI-1011

>  <Target> (319)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (319)
free base

>  <CAS> (319)
23513-14-6

>  <URL> (319)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/09261916562D

 12 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (320)
343

>  <Formula> (320)
C8H8O4

>  <MolWeight> (320)
168.14672

>  <Cat> (320)
S3759

>  <Name> (320)
Norcantharidin

>  <Synonyms> (320)
Endothall anhydride

>  <Target> (320)
c-Met,EGFR

>  <Form> (320)
free base

>  <CAS> (320)
29745-04-8

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

$$$$
S3784 Obacunone.cdx
csChFnd80/09261916562D

 35 40  0  0  0  0  0  0  0  0999 V2000
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    5.7113    4.1870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5716    4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    6.2674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.1413    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 18 22  2  0  0  0  0
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M  END
>  <Mol_ID> (321)
344

>  <Formula> (321)
C26H30O7

>  <MolWeight> (321)
454.5122

>  <Cat> (321)
S3784

>  <Name> (321)
Obacunone

>  <Synonyms> (321)
N/A

>  <Target> (321)
Nrf2,Aromatase

>  <Form> (321)
free base

>  <CAS> (321)
751-03-1

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

$$$$
S3786 Glabridin.cdx
csChFnd80/09261916562D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (322)
345

>  <Formula> (322)
C20H20O4

>  <MolWeight> (322)
324.3704

>  <Cat> (322)
S3786

>  <Name> (322)
Glabridin

>  <Synonyms> (322)
Q-100692, KB-289522, LS-176045

>  <Target> (322)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (322)
free base

>  <CAS> (322)
59870-68-7

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

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (323)
346

>  <Formula> (323)
C48H82O18

>  <MolWeight> (323)
947.15388

>  <Cat> (323)
S3811

>  <Name> (323)
Ginsenoside Re

>  <Synonyms> (323)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (323)
Others

>  <Form> (323)
free base

>  <CAS> (323)
52286-59-6

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

$$$$
S3881 Scopoletin.cdx
csChFnd80/09261916562D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (324)
347

>  <Formula> (324)
C10H8O4

>  <MolWeight> (324)
192.16812

>  <Cat> (324)
S3881

>  <Name> (324)
Scopoletin

>  <Synonyms> (324)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (324)
Immunology & Inflammation related

>  <Form> (324)
free base

>  <CAS> (324)
92-61-5

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (325)
348

>  <Formula> (325)
C41H68O14

>  <MolWeight> (325)
784.97022

>  <Cat> (325)
S3901

>  <Name> (325)
Astragaloside IV

>  <Synonyms> (325)
AST-IV, AS-IV

>  <Target> (325)
Others

>  <Form> (325)
free base

>  <CAS> (325)
84687-43-4

>  <URL> (325)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/09261916562D

 32 37  0  0  0  0  0  0  0  0999 V2000
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    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
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   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
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    6.0454    2.1356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4354    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    5.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
  4  2  1  0  0  0  0
  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
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 17 29  1  6  0  0  0
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 18 28  2  0  0  0  0
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 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (326)
349

>  <Formula> (326)
C20H24O11

>  <MolWeight> (326)
440.39796

>  <Cat> (326)
S3781

>  <Name> (326)
Ginkgolide C

>  <Synonyms> (326)
BN-52022

>  <Target> (326)
Others

>  <Form> (326)
free base

>  <CAS> (326)
15291-76-6

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

$$$$
S3799 Gentisic acid.cdx
csChFnd80/09261916562D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (327)
350

>  <Formula> (327)
C7H6O4

>  <MolWeight> (327)
154.12014

>  <Cat> (327)
S3799

>  <Name> (327)
Gentisic acid

>  <Synonyms> (327)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (327)
Immunology & Inflammation related

>  <Form> (327)
free base

>  <CAS> (327)
490-79-9

>  <URL> (327)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/09261916562D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9853    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    7.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    5.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    8.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4101    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0470    2.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.8317    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9863    0.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 37  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 22  1  6  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  1  0  0  0
 29 32  1  0  0  0  0
 29 33  1  6  0  0  0
 30 34  1  6  0  0  0
 30 32  1  0  0  0  0
 32 35  1  1  0  0  0
 33 36  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (328)
351

>  <Formula> (328)
C27H34O11

>  <MolWeight> (328)
534.55226

>  <Cat> (328)
S3926

>  <Name> (328)
Forsythin

>  <Synonyms> (328)
Phillyrin

>  <Target> (328)
Others

>  <Form> (328)
free base

>  <CAS> (328)
487-41-2

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

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/09261916562D

 81 88  0  0  0  0  0  0  0  0999 V2000
   13.1660    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3997    7.8581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9531    7.9204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1660   10.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6332    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3997    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3997    9.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9531    6.5103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7197    8.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9841    9.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3997   10.6984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6332   10.0040    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.0696    8.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6023    6.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660    5.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2823   12.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5859   14.8646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.4540   12.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9828   14.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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Ginsenoside Rb1

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>  <Target> (329)
Others

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free base

>  <CAS> (329)
41753-43-9

>  <URL> (329)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
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S3868

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Harmine

>  <Synonyms> (330)
telepathine

>  <Target> (330)
PPAR¦Ã,MAO-A

>  <Form> (330)
free base

>  <CAS> (330)
442-51-3

>  <URL> (330)
http://www.selleckchem.com/products/harmine.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/09261916562D

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354

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C10H13N5O

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219.24312

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S4884

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Trans-Zeatin

>  <Synonyms> (331)
(E)-Zeatin

>  <Target> (331)
Others

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1637-39-4

>  <URL> (331)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S3785 Notoginsenoside R1.cdx
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>  <Mol_ID> (332)
355

>  <Formula> (332)
C47H80O18

>  <MolWeight> (332)
933.1273

>  <Cat> (332)
S3785

>  <Name> (332)
Notoginsenoside R1

>  <Synonyms> (332)
Sanchinoside R1

>  <Target> (332)
Others

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80418-24-2

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$$$$
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Raf

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free base

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220904-83-6

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Methyl-Hesperidin

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free base

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 11013-97-1

$$$$
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Aurora Kinase

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Mesylate

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1146618-41-8

>  <URL> (335)
http://www.selleckchem.com/products/SNS-314.html

$$$$
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M  END
>  <Mol_ID> (336)
359

>  <Formula> (336)
C21H18O12

>  <MolWeight> (336)
462.36042

>  <Cat> (336)
S3810

>  <Name> (336)
Scutellarin

>  <Synonyms> (336)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (336)
Others

>  <Form> (336)
free base

>  <CAS> (336)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (337)
360

>  <Formula> (337)
C24H25ClFN5O3

>  <MolWeight> (337)
485.9384032

>  <Cat> (337)
S1019

>  <Name> (337)
CI-1033 (Canertinib)

>  <Synonyms> (337)
PD-183805 

>  <Target> (337)
EGFR, HER2

>  <Form> (337)
Free Base

>  <CAS> (337)
267243-28-7

>  <URL> (337)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (338)
361

>  <Formula> (338)
C31H42N6O4

>  <MolWeight> (338)
562.70298

>  <Cat> (338)
S1043

>  <Name> (338)
Tandutinib (MLN518)

>  <Synonyms> (338)
CT53518

>  <Target> (338)
Flt

>  <Form> (338)
Free Base

>  <CAS> (338)
387867-13-2

>  <URL> (338)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (339)
362

>  <Formula> (339)
C22H24BrFN4O2

>  <MolWeight> (339)
475.3539632

>  <Cat> (339)
S1046

>  <Name> (339)
Vandetanib (ZD6474)

>  <Synonyms> (339)
N/A

>  <Target> (339)
VEGFR

>  <Form> (339)
Free Base

>  <CAS> (339)
443913-73-3

>  <URL> (339)
http://www.selleckchem.com/products/Vandetanib.html

$$$$
untitled.cdx
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Akt

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58066-85-6

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154447-35-5

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>  <Target> (349)
PDGFR

>  <Form> (349)
Free Base

>  <CAS> (349)
146535-11-7

>  <URL> (349)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/09261916562D

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C18H20N2O4S

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>  <Name> (350)
TCS 359

>  <Synonyms> (350)
N/A

>  <Target> (350)
FLT3

>  <Form> (350)
Free Base

>  <CAS> (350)
301305-73-7

>  <URL> (350)
http://www.selleckchem.com/products/tcs-359.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/09261916562D

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375

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FNa2O3P

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Sodium Monofluorophosphate

>  <Synonyms> (351)
Sodium Fluorophosphate

>  <Target> (351)
Others
phosphatase

>  <Form> (351)
Disodium salt

>  <CAS> (351)
10163-15-2

>  <URL> (351)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
IPI-145.cdx
csChFnd80/09261916562D

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376

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C22H17ClN6O

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S7028

>  <Name> (352)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (352)
N/A

>  <Target> (352)
PI3K

>  <Form> (352)
Free Base

>  <CAS> (352)
1201438-56-3

>  <URL> (352)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (353)
377

>  <Formula> (353)
C13H13N3OS

>  <MolWeight> (353)
259.32682

>  <Cat> (353)
S8037

>  <Name> (353)
Necrostatin-1

>  <Synonyms> (353)
N/A

>  <Target> (353)
TNF-alpha

>  <Form> (353)
Free Base

>  <CAS> (353)
4311-88-0

>  <URL> (353)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
GW2580.cdx
csChFnd80/09261916562D

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378

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GW2580

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N/A

>  <Target> (354)
CSF-1R

>  <Form> (354)
Free Base

>  <CAS> (354)
870483-87-7

>  <URL> (354)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/09261916562D

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    6.0622    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8442    2.1047    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
    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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  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
 15 19  2  0  0  0  0
 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> (359)
383

>  <Formula> (359)
C21H16N6O2S2

>  <MolWeight> (359)
448.52074

>  <Cat> (359)
S1118

>  <Name> (359)
XL147 analogue

>  <Synonyms> (359)
SAR245408

>  <Target> (359)
PI3K 

>  <Form> (359)
Free Base

>  <CAS> (359)
956958-53-5

>  <URL> (359)
http://www.selleckchem.com/products/XL147.html

$$$$
s1023.cdx
csChFnd80/09261916562D

 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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   12.1244    2.8000    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
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  3  0  0  0  0
 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (360)
384

>  <Formula> (360)
C22H24ClN3O4

>  <MolWeight> (360)
429.89666

>  <Cat> (360)
S1023

>  <Name> (360)
Erlotinib(OSI-744)

>  <Synonyms> (360)
(CP358774, NSC 718781) HCl

>  <Target> (360)
EGFR

>  <Form> (360)
Hydrochloride

>  <CAS> (360)
183319-69-9

>  <URL> (360)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/09261916562D

 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
    3.6331    6.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.4676    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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    5.3957    4.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    4.3181    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
   13.2372    3.9529    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.8748    5.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5895    3.5906    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9888    1.1030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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> (361)
385

>  <Formula> (361)
C16H15BrClN5O4S

>  <MolWeight> (361)
488.7434

>  <Cat> (361)
S1205

>  <Name> (361)
PIK-75 

>  <Synonyms> (361)
N/A

>  <Target> (361)
PI3K, DNA-PK

>  <Form> (361)
Hydrochloride

>  <CAS> (361)
372196-77-5

>  <URL> (361)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/09261916562D

 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
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    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> (362)
386

>  <Formula> (362)
C25H52NO4P

>  <MolWeight> (362)
461.658441

>  <Cat> (362)
S1037

>  <Name> (362)
Perifosine (KRX-0401)

>  <Synonyms> (362)
NSC639966

>  <Target> (362)
Akt

>  <Form> (362)
Free Base

>  <CAS> (362)
157716-52-4

>  <URL> (362)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/09261916562D

 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
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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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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 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> (363)
387

>  <Formula> (363)
C14H6O8

>  <MolWeight> (363)
302.19264

>  <Cat> (363)
S1327

>  <Name> (363)
Ellagic acid

>  <Synonyms> (363)
N/A

>  <Target> (363)
Topoisomerases

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PI3K, mTOR

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958852-01-2

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http://www.selleckchem.com/products/GSK1059615.html

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p38 MAPK

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Dimesylate

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862507-23-1

>  <URL> (365)
http://www.selleckchem.com/products/LY2228820.html

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942947-93-5

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Syk

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Sodium Salt

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1025687-58-4

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http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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mTOR, PI3K

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Free Base

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1197160-78-3

>  <URL> (369)
http://www.selleckchem.com/products/pki587.html

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503468-95-9 

>  <URL> (370)
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N/A

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EGFR

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Free Base

>  <CAS> (380)
194423-15-9

>  <URL> (380)
https://www.selleckchem.com/products/pd168393.html

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>  <Synonyms> (381)
N/A

>  <Target> (381)
Syk

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Hydrochloride

>  <CAS> (381)
1370261-97-4,1370261-96-3(free base)

>  <URL> (381)
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> (382)
403811-55-2

>  <URL> (382)
https://www.selleckchem.com/products/10058-f4.html

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N/A

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CDK

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HCl

>  <CAS> (383)
920113-03-7

>  <URL> (383)
https://www.selleckchem.com/products/p276-00.html

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Src

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Free Base

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172889-26-8

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ALK

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1032900-25-6

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$$$$
Chloroquine phosphate.cdx
csChFnd80/09261916562D

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>  <Name> (389)
Chloroquine Phosphate

>  <Synonyms> (389)
N/A

>  <Target> (389)
Others

>  <Form> (389)
Diphosphate

>  <CAS> (389)
50-63-5

>  <URL> (389)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
csChFnd80/09261916562D

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S7206

>  <Name> (390)
CNX-2006

>  <Synonyms> (390)
N/A

>  <Target> (390)
EGFR

>  <Form> (390)
Free Base

>  <CAS> (390)
1375465-09-0

>  <URL> (390)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
GZD824.cdx
csChFnd80/09261916562D

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416

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>  <Cat> (391)
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>  <Name> (391)
GZD824 Dimesylate 

>  <Synonyms> (391)
N/A

>  <Target> (391)
Bcr-Abl

>  <Form> (391)
Mesylate

>  <CAS> (391)
1421783-64-3

>  <URL> (391)
http://www.selleckchem.com/products/gzd824.html

$$$$
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423

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C25H34N8O

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462.59046

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GSK2334470

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N/A

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PDK-1

>  <Form> (397)
Free Base

>  <CAS> (397)
1227911-45-6

>  <URL> (397)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/09261916562D

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424

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C24H26N4O

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S7127

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TIC10 analogue

>  <Synonyms> (398)
TRAIL-inducing Compound 10

>  <Target> (398)
Akt

>  <Form> (398)
Free Base

>  <CAS> (398)
41276-02-2

>  <URL> (398)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (399)
425

>  <Formula> (399)
C16H10BrN3O2

>  <MolWeight> (399)
356.1735

>  <Cat> (399)
S7198

>  <Name> (399)
BIO

>  <Synonyms> (399)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (399)
GSK-3

>  <Form> (399)
Free Base

>  <CAS> (399)
667463-62-9

>  <URL> (399)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/09261916562D

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426

>  <Formula> (400)
C17H13N5

>  <MolWeight> (400)
287.31862

>  <Cat> (400)
S7223

>  <Name> (400)
RepSox

>  <Synonyms> (400)
E-616452, SJN 2511

>  <Target> (400)
TGF-beta/Smad

>  <Form> (400)
Free Base

>  <CAS> (400)
446859-33-2

>  <URL> (400)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/09261916562D

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427

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AZD2858

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N/A

>  <Target> (401)
GSK-3

>  <Form> (401)
Free Base

>  <CAS> (401)
486424-20-8

>  <URL> (401)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/09261916562D

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428

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C23H26ClNO

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367.91164

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S8004

>  <Name> (402)
ZM 39923 HCl

>  <Synonyms> (402)
N/A

>  <Target> (402)
JAK

>  <Form> (402)
HCl

>  <CAS> (402)
1021868-92-7

>  <URL> (402)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
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>  <Mol_ID> (403)
429

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C26H27N5O5S2

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>  <Cat> (403)
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>  <Name> (403)
Ro 31-8220 Mesylate

>  <Synonyms> (403)
Bisindolylmaleimide IX Mesylate

>  <Target> (403)
PKC

>  <Form> (403)
Mesylate

>  <CAS> (403)
138489-18-6

>  <URL> (403)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
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431

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>  <Cat> (404)
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>  <Name> (404)
CZC24832

>  <Synonyms> (404)
N/A

>  <Target> (404)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (404)
Free Base

>  <CAS> (404)
1159824-67-5

>  <URL> (404)
http://www.selleckchem.com/products/czc24832.html

$$$$
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csChFnd80/09261916562D

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Free Base

>  <CAS> (405)
218156-96-8

>  <URL> (405)
http://www.selleckchem.com/products/srpin340.html

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XL388

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N/A

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mTOR

>  <Form> (406)
Free Base

>  <CAS> (406)
1251156-08-7

>  <URL> (406)
http://www.selleckchem.com/products/xl388.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/09261916562D

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435

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C27H28F3N7O3

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S7284

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Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (407)
CNX-419, AVL-301

>  <Target> (407)
EGFR

>  <Form> (407)
Free Base

>  <CAS> (407)
1374640-70-6

>  <URL> (407)
http://www.selleckchem.com/products/co-1686.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (408)
436

>  <Formula> (408)
C24H27Cl2N5O

>  <MolWeight> (408)
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>  <Cat> (408)
S7306

>  <Name> (408)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (408)
BML-275,Compound C

>  <Target> (408)
AMPK

>  <Form> (408)
Dihydrochloride

>  <CAS> (408)
1219168-18-9

>  <URL> (408)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/09261916562D

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1380432-32-5

>  <URL> (409)
http://www.selleckchem.com/products/ehop-016.html

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>  <Target> (410)
p38 MAPK

>  <Form> (410)
Free Base

>  <CAS> (410)
1221485-83-1

>  <URL> (410)
http://www.selleckchem.com/products/skepinone-l.html

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I¦ÊB/IKK

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Free Base

>  <CAS> (411)
445430-58-0

>  <URL> (411)
http://www.selleckchem.com/products/bms-345541.html

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JAK

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945755-56-6

>  <URL> (412)
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848318-25-2

>  <URL> (413)
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1202757-89-8

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http://www.selleckchem.com/products/avl-292.html

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DYRK

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Sorafenib.cdx
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>  <Mol_ID> (418)
447

>  <Formula> (418)
C21H16ClF3N4O3

>  <MolWeight> (418)
464.8249496

>  <Cat> (418)
S7397

>  <Name> (418)
Sorafenib

>  <Synonyms> (418)
BAY 43-9006

>  <Target> (418)
Raf

>  <Form> (418)
Free Base

>  <CAS> (418)
284461-73-0

>  <URL> (418)
http://www.selleckchem.com/products/sorafenib.html

$$$$
PF-562271.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (419)
448

>  <Formula> (419)
C21H21ClF3N7O3S

>  <MolWeight> (419)
543.9497496

>  <Cat> (419)
S7357

>  <Name> (419)
PF-562271 HCl

>  <Synonyms> (419)
N/A

>  <Target> (419)
FAK

>  <Form> (419)
Hydrochloride

>  <URL> (419)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (420)
449

>  <Formula> (420)
C13H15NO2S

>  <MolWeight> (420)
249.3287

>  <Cat> (420)
S7320

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TG003

>  <Synonyms> (420)
N/A

>  <Target> (420)
CDK

>  <Form> (420)
Free Base

>  <CAS> (420)
300801-52-9

>  <URL> (420)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (421)
450

>  <Formula> (421)
C25H29ClN6O3

>  <MolWeight> (421)
496.98916

>  <Cat> (421)
S7317

>  <Name> (421)
WZ4003

>  <Synonyms> (421)
N/A

>  <Target> (421)
AMPK

>  <Form> (421)
Free Base

>  <CAS> (421)
1214265-58-3

>  <URL> (421)
http://www.selleckchem.com/products/wz4003.html

$$$$
ID-8.cdx
csChFnd80/09261916562D

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147591-46-6

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http://www.selleckchem.com/products/id-8.html

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1097917-15-1

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http://www.selleckchem.com/products/asp3026.html

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14003-96-4

>  <URL> (424)
http://www.selleckchem.com/products/4u8c.html

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AZ20.cdx
csChFnd80/09261916562D

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1233339-22-4

>  <URL> (425)
http://www.selleckchem.com/products/az20.html

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1337532-29-2

>  <URL> (431)
http://www.selleckchem.com/products/gsk2656157.html

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Aurora Kinase

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Free Base

>  <CAS> (432)
885325-71-3

>  <URL> (432)
http://www.selleckchem.com/products/mk-8745.html

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N/A

>  <Target> (433)
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315706-13-9

>  <URL> (433)
http://www.selleckchem.com/products/4egi-1.html

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1211441-98-3

>  <URL> (434)
http://www.selleckchem.com/products/lee011.html

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>  <Mol_ID> (435)
464

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C27H45IN2

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NH125

>  <Synonyms> (435)
N/A

>  <Target> (435)
CaMK

>  <Form> (435)
iodide

>  <CAS> (435)
278603-08-0

>  <URL> (435)
http://www.selleckchem.com/products/nh125.html

$$$$
1164470-53-4.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (436)
465

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C18H15Cl4N3OS

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Sal003

>  <Synonyms> (436)
N/A

>  <Target> (436)
phosphatase

>  <Form> (436)
Free Base

>  <CAS> (436)
1164470-53-4

>  <URL> (436)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
csChFnd80/09261916562D

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466

>  <Formula> (437)
C25H23ClN6

>  <MolWeight> (437)
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>  <Name> (437)
LDN193189 HCl

>  <Synonyms> (437)
N/A

>  <Target> (437)
TGF-beta/Smad

>  <Form> (437)
Hydrochloride

>  <CAS> (437)
1062368-62-0

>  <URL> (437)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
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>  <Mol_ID> (438)
467

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C13H12N4O2S2

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SKLB1002

>  <Synonyms> (438)
N/A

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VEGFR

>  <Form> (438)
Free Base

>  <CAS> (438)
1225451-84-2

>  <URL> (438)
http://www.selleckchem.com/products/sklb1002.html

$$$$
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TGF-beta/Smad

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Free Base

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1062368-49-3

>  <URL> (444)
http://www.selleckchem.com/products/ml347.html

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N/A

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Syk

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Free Base

>  <CAS> (445)
1229208-44-9

>  <URL> (445)
http://www.selleckchem.com/products/gs-9973.html

$$$$
DMH1.cdx
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TGF-beta/Smad

>  <Form> (446)
Free Base

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1206711-16-1

>  <URL> (446)
http://www.selleckchem.com/products/dmh1.html

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BMP Inhibitor III

>  <Target> (447)
TGF-beta/Smad

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Free Base

>  <CAS> (447)
1432597-26-6

>  <URL> (447)
http://www.selleckchem.com/products/ldn-212854.html

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PI3K

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1276110-06-5

>  <URL> (454)
http://www.selleckchem.com/products/hs-173.html

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M  END
>  <Mol_ID> (456)
486

>  <Formula> (456)
C25H33N7O2

>  <MolWeight> (456)
463.57522

>  <Cat> (456)
S7325

>  <Name> (456)
UNC2881

>  <Synonyms> (456)
N/A

>  <Target> (456)
TAM Receptor

>  <Form> (456)
Free Base

>  <CAS> (456)
1493764-08-1

>  <URL> (456)
http://www.selleckchem.com/products/unc2881.html

$$$$
PF-543 .cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (457)
487

>  <Formula> (457)
C27H31NO4S

>  <MolWeight> (457)
465.60434

>  <Cat> (457)
S7177

>  <Name> (457)
PF-543

>  <Synonyms> (457)
N/A

>  <Target> (457)
S1P Receptor

>  <Form> (457)
Free Base

>  <CAS> (457)
1415562-82-1

>  <URL> (457)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (458)
488

>  <Formula> (458)
C21H21N3O2S

>  <MolWeight> (458)
379.47534

>  <Cat> (458)
S7104

>  <Name> (458)
AZD1208

>  <Synonyms> (458)
N/A

>  <Target> (458)
Pim

>  <Form> (458)
Free Base

>  <CAS> (458)
1204144-28-4

>  <URL> (458)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (459)
489

>  <Formula> (459)
C26H25Cl2N3O3

>  <MolWeight> (459)
498.401

>  <Cat> (459)
S7041

>  <Name> (459)
CX-6258 HCl

>  <Synonyms> (459)
N/A

>  <Target> (459)
Pim

>  <Form> (459)
Hydrochloride

>  <CAS> (459)
1353859-00-3

>  <URL> (459)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (460)
490

>  <Formula> (460)
C25H29Cl2F3N2O4S

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>  <Cat> (460)
S7482

>  <Name> (460)
EHT 1864 2HCl

>  <Synonyms> (460)
N/A

>  <Target> (460)
Rho

>  <Form> (460)
Dihydrochloride

>  <CAS> (460)
754240-09-0

>  <URL> (460)
http://www.selleckchem.com/products/eht-1864.html

$$$$
LDC000067.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (461)
492

>  <Formula> (461)
C18H18N4O3S

>  <MolWeight> (461)
370.42552

>  <Cat> (461)
S7461

>  <Name> (461)
LDC000067

>  <Synonyms> (461)
LDC067

>  <Target> (461)
CDK

>  <Form> (461)
Free Base

>  <CAS> (461)
1073485-20-7

>  <URL> (461)
http://www.selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (462)
493

>  <Formula> (462)
C26H30N6O3

>  <MolWeight> (462)
474.5548

>  <Cat> (462)
S7525

>  <Name> (462)
XMD8-92

>  <Synonyms> (462)
N/A

>  <Target> (462)
ERK

>  <Form> (462)
Free Base

>  <CAS> (462)
1234480-50-2

>  <URL> (462)
http://www.selleckchem.com/products/xmd8-92.html

$$$$
CGI1746 .cdx
csChFnd80/09261916562D

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>  <Mol_ID> (463)
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>  <Formula> (463)
C34H37N5O4

>  <MolWeight> (463)
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>  <Cat> (463)
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>  <Name> (463)
CGI1746

>  <Synonyms> (463)
N/A

>  <Target> (463)
BTK

>  <Form> (463)
Free Base

>  <CAS> (463)
910232-84-7

>  <URL> (463)
http://www.selleckchem.com/products/cgi1746.html

$$$$
PF-3758309.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (468)
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>  <Formula> (468)
C21H18Cl2N4OS

>  <MolWeight> (468)
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>  <Name> (468)
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>  <Synonyms> (468)
N/A 

>  <Target> (468)
Bcr-Abl

>  <Form> (468)
Free Base

>  <CAS> (468)
260415-63-2

>  <URL> (468)
http://www.selleckchem.com/products/pd173955.html

$$$$
Zotarolimus.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (469)
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>  <Formula> (469)
C52H79N5O12

>  <MolWeight> (469)
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>  <Cat> (469)
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>  <Name> (469)
Zotarolimus (ABT-578)

>  <Synonyms> (469)
N/A

>  <Target> (469)
mTOR

>  <Form> (469)
Free Base

>  <CAS> (469)
221877-54-9

>  <URL> (469)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
WH-4-023.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (470)
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>  <Formula> (470)
C32H36N6O4

>  <MolWeight> (470)
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>  <Cat> (470)
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>  <Name> (470)
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>  <Synonyms> (470)
KIN001-112

>  <Target> (470)
Src

>  <Form> (470)
Free Base

>  <CAS> (470)
837422-57-8

>  <URL> (470)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/09261916562D

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PTEN

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345630-40-2

>  <URL> (471)
http://www.selleckchem.com/products/sf1670.html

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PLK

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1034616-18-6

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http://www.selleckchem.com/products/nms-p937-nms1286937.html

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>  <URL> (474)
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M  END
>  <Mol_ID> (475)
507

>  <Formula> (475)
C21H23N5O3S

>  <MolWeight> (475)
425.50402

>  <Cat> (475)
S7605

>  <Name> (475)
Filgotinib£¨GLPG0643)

>  <Synonyms> (475)
N/A

>  <Target> (475)
JAK

>  <Form> (475)
Free Base

>  <CAS> (475)
1206161-97-8

>  <URL> (475)
http://www.selleckchem.com/products/filgotinib.html

$$$$
Anacardic Acid.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (476)
508

>  <Formula> (476)
C22H36O3

>  <MolWeight> (476)
348.51944

>  <Cat> (476)
S7582

>  <Name> (476)
Anacardic Acid

>  <Synonyms> (476)
6-pentadecylsalicylic Acid

>  <Target> (476)
Histone Acetyltransferase

>  <Form> (476)
Free Base

>  <CAS> (476)
16611-84-0

>  <URL> (476)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (477)
509

>  <Formula> (477)
C28H21F4N5O2

>  <MolWeight> (477)
535.4922528

>  <Cat> (477)
S7519

>  <Name> (477)
GNF-5837

>  <Synonyms> (477)
N/A

>  <Target> (477)
Trk receptor

>  <Form> (477)
Free Base

>  <CAS> (477)
1033769-28-6

>  <URL> (477)
http://www.selleckchem.com/products/gnf-5837.html

$$$$
LY2874455.cdx
csChFnd80/09261916562D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (478)
510

>  <Formula> (478)
C21H19Cl2N5O2

>  <MolWeight> (478)
444.31386

>  <Cat> (478)
S7057

>  <Name> (478)
LY2874455

>  <Synonyms> (478)
N/A

>  <Target> (478)
FGFR

>  <Form> (478)
Free Base

>  <CAS> (478)
1254473-64-7

>  <URL> (478)
http://www.selleckchem.com/products/ly2874455.html

$$$$
URMC-099.cdx
csChFnd80/09261916562D

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 10 15  2  0  0  0  0
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M  END
>  <Mol_ID> (487)
521

>  <Formula> (487)
C12H11NO3

>  <MolWeight> (487)
217.22064

>  <Cat> (487)
S7188

>  <Name> (487)
CID755673

>  <Synonyms> (487)
N/A

>  <Target> (487)
Others

>  <Form> (487)
Free Base

>  <CAS> (487)
521937-07-5

>  <URL> (487)
http://www.selleckchem.com/products/cid755673.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/09261916562D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 16 12  1  0  0  0  0
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M  END
>  <Mol_ID> (488)
523

>  <Formula> (488)
C22H22O8

>  <MolWeight> (488)
414.40528

>  <Cat> (488)
S7668

>  <Name> (488)
Picropodophyllin (PPP)

>  <Synonyms> (488)
AXL1717

>  <Target> (488)
IGF-1R

>  <Form> (488)
Free Base

>  <CAS> (488)
477-47-4

>  <URL> (488)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

$$$$
Reversine.cdx
csChFnd80/09261916562D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (489)
524

>  <Formula> (489)
C21H27N7O

>  <MolWeight> (489)
393.48538

>  <Cat> (489)
S7588

>  <Name> (489)
Reversine

>  <Synonyms> (489)
N/A

>  <Target> (489)
Adenosine Receptor

>  <Form> (489)
Free Base

>  <CAS> (489)
656820-32-5

>  <URL> (489)
http://www.selleckchem.com/products/reversine.html

$$$$
SU 9516.cdx
csChFnd80/09261916562D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (490)
525

>  <Formula> (490)
C13H11N3O2

>  <MolWeight> (490)
241.24534

>  <Cat> (490)
S7636

>  <Name> (490)
SU9516

>  <Synonyms> (490)
N/A

>  <Target> (490)
CDK

>  <Form> (490)
Free Base

>  <CAS> (490)
377090-84-1

>  <URL> (490)
http://www.selleckchem.com/products/su9516.html

$$$$
Piperlongumine.cdx
csChFnd80/09261916562D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (491)
526

>  <Formula> (491)
C17H19NO5

>  <MolWeight> (491)
317.33646

>  <Cat> (491)
S7551

>  <Name> (491)
Piperlongumine

>  <Synonyms> (491)
PPLGM

>  <Target> (491)
ROS,CRM

>  <Form> (491)
Free Base

>  <CAS> (491)
20069-09-4

>  <URL> (491)
http://www.selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/09261916562D

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LRRK2

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Free Base

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1285515-21-0

>  <URL> (496)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/09261916562D

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Poziotinib (HM781-36B)

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NOV120101

>  <Target> (497)
EGFR

>  <Form> (497)
Free Base

>  <CAS> (497)
1092364-38-9

>  <URL> (497)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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LY2584702.cdx
csChFnd80/09261916562D

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S6 Kinase

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Free Base

>  <CAS> (498)
1082949-67-4

>  <URL> (498)
http://www.selleckchem.com/products/ly2584702.html

$$$$
PI-3065.cdx
csChFnd80/09261916562D

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>  <Synonyms> (499)
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>  <Target> (499)
PI3K

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>  <CAS> (499)
955977-50-1

>  <URL> (499)
http://www.selleckchem.com/products/pi-3065.html

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SBE 13 hydrochloride.cdx
csChFnd80/09261916562D

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1052532-15-6

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http://www.selleckchem.com/products/sbe-13-hcl.html

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188011-69-0

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627536-09-8

>  <URL> (502)
http://www.selleckchem.com/products/sd-208.html

$$$$
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>  <Mol_ID> (504)
540

>  <Formula> (504)
C28H27F4N7O3S

>  <MolWeight> (504)
617.6176928

>  <Cat> (504)
S7704

>  <Name> (504)
LY2584702 tosylate

>  <Synonyms> (504)
N/A

>  <Target> (504)
S6 Kinase

>  <Form> (504)
Free Base

>  <CAS> (504)
1082949-68-5

>  <URL> (504)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
RN486.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (505)
541

>  <Formula> (505)
C35H35FN6O3

>  <MolWeight> (505)
606.6892032

>  <Cat> (505)
S7080

>  <Name> (505)
RN486

>  <Synonyms> (505)
N/A

>  <Target> (505)
BTK

>  <Form> (505)
Free Base

>  <CAS> (505)
no

>  <URL> (505)
http://www.selleckchem.com/products/rn486.html

$$$$
Dovitinib Lactate.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (506)
542

>  <Formula> (506)
C24H27FN6O4

>  <MolWeight> (506)
482.5073832

>  <Cat> (506)
S7765

>  <Name> (506)
Dovitinib (TKI258) Lactate

>  <Synonyms> (506)
N/A

>  <Target> (506)
FLT3

>  <Form> (506)
Lactate

>  <CAS> (506)
915769-50-5

>  <URL> (506)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

$$$$
BLZ945.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (507)
543

>  <Formula> (507)
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>  <Cat> (507)
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (511)
547

>  <Formula> (511)
C22H28ClN7O3S

>  <MolWeight> (511)
506.02082

>  <Cat> (511)
S7782

>  <Name> (511)
Dasatinib Monohydrate

>  <Synonyms> (511)
BMS-354825 Monohydrate

>  <Target> (511)
Src

>  <Form> (511)
Monohydrate

>  <CAS> (511)
863127-77-9

>  <URL> (511)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
LM-3572.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (512)
548

>  <Formula> (512)
C22H27FN4O2

>  <MolWeight> (512)
398.4737832

>  <Cat> (512)
S7781

>  <Name> (512)
Sunitinib

>  <Synonyms> (512)
SU11248

>  <Target> (512)
PDGFR

>  <Form> (512)
Free Base

>  <CAS> (512)
557795-19-4

>  <URL> (512)
http://www.selleckchem.com/products/sunitinib.html

$$$$
Erlotinib free Base.cdx
csChFnd80/09261916562D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (513)
549

>  <Formula> (513)
C22H23N3O4

>  <MolWeight> (513)
393.43572

>  <Cat> (513)
S7786

>  <Name> (513)
Erlotinib

>  <Synonyms> (513)
CP358774, NSC 718781

>  <Target> (513)
EGFR

>  <Form> (513)
Free Base

>  <CAS> (513)
183321-74-6

>  <URL> (513)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (514)
550

>  <Formula> (514)
C18H13BrN4O

>  <MolWeight> (514)
381.22602

>  <Cat> (514)
S7557

>  <Name> (514)
CL-387785 (EKI-785)

>  <Synonyms> (514)
N/A

>  <Target> (514)
EGFR

>  <Form> (514)
Free Base

>  <CAS> (514)
194423-06-8

>  <URL> (514)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (515)
551

>  <Formula> (515)
C24H30ClN7O2

>  <MolWeight> (515)
483.9937

>  <Cat> (515)
S1116

>  <Name> (515)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (515)
N/A

>  <Target> (515)
CDK

>  <Form> (515)
Hydrochloride

>  <CAS> (515)
827022-32-2, 571190-30-2 (free base)

>  <URL> (515)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/09261916562D

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552

>  <Formula> (516)
C26H35N7O6S

>  <MolWeight> (516)
573.6644

>  <Cat> (516)
S1579

>  <Name> (516)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (516)
N/A

>  <Target> (516)
CDK

>  <Form> (516)
Isethionate

>  <CAS> (516)
827022-33-3, 571190-30-2(free base)

>  <URL> (516)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (517)
553

>  <Formula> (517)
C15H11NO3S2

>  <MolWeight> (517)
317.38274

>  <Cat> (517)
S7771

>  <Name> (517)
STF-083010

>  <Synonyms> (517)
N/A

>  <Target> (517)
Others

>  <Form> (517)
Free Base

>  <CAS> (517)
307543-71-1

>  <URL> (517)
http://www.selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
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>  <Mol_ID> (518)
554

>  <Formula> (518)
C29H28ClN7OS

>  <MolWeight> (518)
558.09692

>  <Cat> (518)
S7271

>  <Name> (518)
FRAX597

>  <Synonyms> (518)
N/A

>  <Target> (518)
PAK

>  <Form> (518)
Free Base

>  <CAS> (518)
1286739-19-2

>  <URL> (518)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (519)
555

>  <Formula> (519)
C18H13N3OS2

>  <MolWeight> (519)
351.44532

>  <Cat> (519)
S7747

>  <Name> (519)
Ro-3306

>  <Synonyms> (519)
N/A

>  <Target> (519)
CDK

>  <Form> (519)
Free Base

>  <CAS> (519)
872573-93-8

>  <URL> (519)
http://www.selleckchem.com/products/ro-3306.html

$$$$
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csChFnd80/09261916562D

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N/A

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EGFR

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Dimaleate

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850140-73-7

>  <URL> (520)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

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LY2409881

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N/A

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I¦ÊB/IKK

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Trihydrochloride

>  <CAS> (521)
946518-60-1

>  <URL> (521)
http://www.selleckchem.com/products/ly2409881.html

$$$$
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>  <Synonyms> (522)
N/A

>  <Target> (522)
Akt

>  <Form> (522)
Free Base

>  <CAS> (522)
1047644-62-1

>  <URL> (522)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
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 27 24  1  0  0  0  0
  8 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (523)
559

>  <Formula> (523)
C19H22N6O3S

>  <MolWeight> (523)
414.48138

>  <Cat> (523)
S7798

>  <Name> (523)
GNE-317

>  <Synonyms> (523)
N/A

>  <Target> (523)
PI3K

>  <Form> (523)
Free Base

>  <CAS> (523)
1394076-92-6

>  <URL> (523)
http://www.selleckchem.com/products/gne-317.html

$$$$
LDN-214117.cdx
csChFnd80/09261916562D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (524)
560

>  <Formula> (524)
C25H29N3O3

>  <MolWeight> (524)
419.51606

>  <Cat> (524)
S7627

>  <Name> (524)
LDN-214117

>  <Synonyms> (524)
N/A

>  <Target> (524)
TGF-beta/Smad

>  <Form> (524)
Free Base

>  <CAS> (524)
1627503-67-6

>  <URL> (524)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Purvalanol A.cdx
csChFnd80/09261916562D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  6  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (525)
561

>  <Formula> (525)
C19H25ClN6O

>  <MolWeight> (525)
388.8944

>  <Cat> (525)
S7793

>  <Name> (525)
Purvalanol A

>  <Synonyms> (525)
N/A

>  <Target> (525)
CDK

>  <Form> (525)
Free Base

>  <CAS> (525)
212844-53-6

>  <URL> (525)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
AZD2932.cdx
csChFnd80/09261916562D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    4.6166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.8290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1573    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9964    4.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7175    7.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 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
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (526)
562

>  <Formula> (526)
C24H25N5O4

>  <MolWeight> (526)
447.4864

>  <Cat> (526)
S7003

>  <Name> (526)
AZD2932

>  <Synonyms> (526)
N/A

>  <Target> (526)
PDGFR

>  <Form> (526)
Free Base

>  <CAS> (526)
883986-34-3

>  <URL> (526)
http://www.selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/09261916562D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.6458    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0726    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2851    2.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5005    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4235    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    0.7121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0746    2.1138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7069    2.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9309    0.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    3.0425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318    5.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418    4.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895    4.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1447    3.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
 10  9  1  6  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 10  1  0  0  0  0
 11 15  1  6  0  0  0
 12 19  1  1  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (527)
563

>  <Formula> (527)
C14H19NO4

>  <MolWeight> (527)
265.30496

>  <Cat> (527)
S7409

>  <Name> (527)
Anisomycin

>  <Synonyms> (527)
Flagecidin 

>  <Target> (527)
JNK

>  <Form> (527)
Free Base

>  <CAS> (527)
22862-76-6

>  <URL> (527)
http://www.selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0392    4.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0529    2.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8399    2.1298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    4.2221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125    4.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2611    2.1484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4724    4.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    4.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (532)
568

>  <Formula> (532)
C25H25ClN6O4S

>  <MolWeight> (532)
541.0218

>  <Cat> (532)
S7645

>  <Name> (532)
Pilaralisib (XL147)

>  <Synonyms> (532)
N/A

>  <Target> (532)
PI3K

>  <Form> (532)
Free Base

>  <CAS> (532)
934526-89-3

>  <URL> (532)
http://www.selleckchem.com/products/pilaralisib-xl147.html

$$$$
AT7519 HCl.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (533)
569

>  <Formula> (533)
C16H18Cl3N5O2

>  <MolWeight> (533)
418.70542

>  <Cat> (533)
S7808

>  <Name> (533)
AT7519 HCl

>  <Synonyms> (533)
N/A

>  <Target> (533)
CDK

>  <Form> (533)
Hydrochloride

>  <CAS> (533)
902135-91-5

>  <URL> (533)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (534)
570

>  <Formula> (534)
C31H33FN6O3

>  <MolWeight> (534)
556.6305232

>  <Cat> (534)
S7799

>  <Name> (534)
Pexmetinib (ARRY-614)

>  <Synonyms> (534)
N/A

>  <Target> (534)
p38 MAPK

>  <Form> (534)
Free Base

>  <CAS> (534)
945614-12-0

>  <URL> (534)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/09261916562D

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Raf

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1454682-72-4

>  <URL> (535)
http://www.selleckchem.com/products/ly3009120.html

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AMPK

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Free Base

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1613724-42-7

>  <URL> (536)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/09261916562D

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>  <Target> (537)
CSF-1R

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Free Base

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1029044-16-3

>  <URL> (537)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
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>  <Name> (538)
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MEK

>  <Form> (538)
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>  <CAS> (538)
934660-93-2

>  <URL> (538)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
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Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (539)
N/A

>  <Target> (539)
ERK

>  <Form> (539)
Free Base

>  <CAS> (539)
869886-67-9

>  <URL> (539)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

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Dorsomorphin.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (540)
576

>  <Formula> (540)
C24H25N5O

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399.4882

>  <Cat> (540)
S7840

>  <Name> (540)
Dorsomorphin (Compound C)

>  <Synonyms> (540)
Compound C, BML-275

>  <Target> (540)
AMPK

>  <Form> (540)
Free Base

>  <CAS> (540)
866405-64-3

>  <URL> (540)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
BI-847325.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (541)
578

>  <Formula> (541)
C29H28N4O2

>  <MolWeight> (541)
464.55822

>  <Cat> (541)
S7843

>  <Name> (541)
BI-847325

>  <Synonyms> (541)
N/A

>  <Target> (541)
MEK

>  <Form> (541)
Free Base

>  <CAS> (541)
1207293-36-4

>  <URL> (541)
http://www.selleckchem.com/products/bi-847325.html

$$$$
AZ5104.cdx
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>  <Mol_ID> (542)
579

>  <Formula> (542)
C27H31N7O2

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AZ5104

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N/A

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EGFR

>  <Form> (542)
Free Base

>  <CAS> (542)
1421373-98-9

>  <URL> (542)
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LRRK2

>  <Form> (543)
Free Base

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1234480-84-2

>  <URL> (543)
http://www.selleckchem.com/products/lrrk2-in-1.html

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>  <Mol_ID> (544)
581

>  <Formula> (544)
C31H23F2N5O3

>  <MolWeight> (544)
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NPS-1034

>  <Synonyms> (544)
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>  <Target> (544)
c-Met

>  <Form> (544)
Free Base

>  <CAS> (544)
1221713-92-3

>  <URL> (544)
http://www.selleckchem.com/products/nps-1034.html

$$$$
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>  <Formula> (545)
C26H32ClN2O8PS

>  <MolWeight> (545)
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>  <Cat> (545)
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>  <Name> (545)
KN-93 Phosphate

>  <Synonyms> (545)
N/A

>  <Target> (545)
CaMK

>  <Form> (545)
Free Base

>  <CAS> (545)
1188890-41-6

>  <URL> (545)
http://www.selleckchem.com/products/kn-93-phosphate.html

$$$$
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583

>  <Formula> (546)
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>  <Cat> (546)
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>  <Target> (546)
MEK

>  <Form> (546)
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>  <CAS> (546)
1168091-68-6

>  <URL> (546)
http://www.selleckchem.com/products/gdc-0623.html

$$$$
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M  END
>  <Mol_ID> (550)
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>  <Formula> (550)
C28H32O6

>  <MolWeight> (550)
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>  <Name> (550)
FLLL32

>  <Synonyms> (550)
N/A

>  <Target> (550)
JAK

>  <Form> (550)
Free Base

>  <CAS> (550)
1226895-15-3

>  <URL> (550)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (551)
589

>  <Formula> (551)
C26H44NNaO6S

>  <MolWeight> (551)
521.68543

>  <Cat> (551)
S7896

>  <Name> (551)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (551)
N/A

>  <Target> (551)
Antifection

>  <Form> (551)
sodium salt

>  <CAS> (551)
35807-85-3

>  <URL> (551)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (552)
590

>  <Formula> (552)
C24H28N8O2

>  <MolWeight> (552)
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>  <Cat> (552)
S7103

>  <Name> (552)
GDC-0032

>  <Synonyms> (552)
RG7604

>  <Target> (552)
PI3K

>  <Form> (552)
Free Base

>  <CAS> (552)
1282512-48-4

>  <URL> (552)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
ONO-4059.cdx
csChFnd80/09261916562D

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>  <Formula> (553)
C25H24N6O3

>  <MolWeight> (553)
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>  <Cat> (553)
S7877

>  <Name> (553)
ONO-4059

>  <Synonyms> (553)
ONO-WG-307

>  <Target> (553)
BTK

>  <Form> (553)
Free Base

>  <CAS> (553)
1351635-67-0

>  <URL> (553)
http://www.selleckchem.com/products/ono-4059.html

$$$$
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csChFnd80/09261916562D

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1449685-96-4

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215543-92-3

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http://www.selleckchem.com/products/su5402.html

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N/A

>  <Target> (560)
TAM Receptor

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hydrochloride salt

>  <CAS> (560)
1429881-91-3

>  <URL> (560)
http://www.selleckchem.com/products/unc-2025.html

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1616632-77-9

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http://www.selleck.cn/products/tic-10.html

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>  <URL> (562)
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FGFR

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1633044-56-0

>  <URL> (572)
http://www.selleckchem.com/products/fiin-2.html

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JAK

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Free Base

>  <CAS> (573)
944842-54-0

>  <URL> (573)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
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ERK

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896720-20-0

>  <URL> (574)
http://www.selleckchem.com/products/vx-11e.html

$$$$
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1626387-80-1

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http://www.selleckchem.com/products/azd3759.html

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PI3K

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934493-76-2

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http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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csChFnd80/09261916562D

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I¦ÊB/IKK

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431898-65-6

>  <URL> (577)
http://www.selleckchem.com/products/ps-1145.html

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LJI308.cdx
csChFnd80/09261916562D

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LJI308

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S6 Kinase

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Free Base

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1627709-94-7

>  <URL> (578)
http://www.selleckchem.com/products/lji308.html

$$$$
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csChFnd80/09261916562D

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926037-48-1

>  <URL> (579)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/09261916562D

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618

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>  <Cat> (580)
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>  <Name> (580)
Ripasudil (K-115)

>  <Synonyms> (580)
N/A

>  <Target> (580)
ROCK

>  <Form> (580)
Hydrochloride dihydrate

>  <CAS> (580)
887375-67-9

>  <URL> (580)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
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>  <Synonyms> (581)
N/A

>  <Target> (581)
CDK

>  <Form> (581)
Free Base

>  <CAS> (581)
853299-07-7

>  <URL> (581)
http://www.selleckchem.com/products/k03861.html

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GNF-7

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N/A

>  <Target> (582)
Bcr-Abl

>  <Form> (582)
Free Base

>  <CAS> (582)
839706-07-9

>  <URL> (582)
http://www.selleckchem.com/products/gnf-7.html

$$$$
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>  <Synonyms> (583)
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>  <Target> (583)
ROCK

>  <Form> (583)
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>  <CAS> (583)
911417-87-3

>  <URL> (583)
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$$$$
Mirin.cdx
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M  END
>  <Mol_ID> (588)
628

>  <Formula> (588)
C21H24ClN7O

>  <MolWeight> (588)
425.91456

>  <Cat> (588)
S7980

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VPS34-IN1

>  <Synonyms> (588)
Vps34-IN-1

>  <Target> (588)
PI3K

>  <Form> (588)
Free Base

>  <CAS> (588)
1383716-33-3

>  <URL> (588)
http://www.selleckchem.com/products/vps34-in1.html

$$$$
Kenpaullone.cdx
csChFnd80/09261916562D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (589)
629

>  <Formula> (589)
C16H11BrN2O

>  <MolWeight> (589)
327.17534

>  <Cat> (589)
S7917

>  <Name> (589)
Kenpaullone

>  <Synonyms> (589)
N/A

>  <Target> (589)
CDK

>  <Form> (589)
Free Base

>  <CAS> (589)
142273-20-9

>  <URL> (589)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (590)
630

>  <Formula> (590)
C19H27N5O6S

>  <MolWeight> (590)
453.51258

>  <Cat> (590)
S8195

>  <Name> (590)
Oclacitinib maleate

>  <Synonyms> (590)
PF-03394197

>  <Target> (590)
JAK

>  <Form> (590)
Free Base

>  <CAS> (590)
1640292-55-2

>  <URL> (590)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/09261916562D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    8.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (591)
631

>  <Formula> (591)
C17H12Cl2F3N7O2S

>  <MolWeight> (591)
506.2890896

>  <Cat> (591)
S7121

>  <Name> (591)
MLN2480

>  <Synonyms> (591)
BIIB-024

>  <Target> (591)
Raf

>  <Form> (591)
Free Base

>  <CAS> (591)
1096708-71-2

>  <URL> (591)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/09261916562D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (592)
632

>  <Formula> (592)
C26H23N7O2

>  <MolWeight> (592)
465.50652

>  <Cat> (592)
S8116

>  <Name> (592)
Acalabrutinib (ACP-196)

>  <Synonyms> (592)
N/A

>  <Target> (592)
BTK

>  <Form> (592)
Free Base

>  <CAS> (592)
1420477-60-6

>  <URL> (592)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
PIK-III.cdx
csChFnd80/09261916562D

 24 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (597)
638

>  <Formula> (597)
C27H25F3N8O2

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Pluripotin (SC1)

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N/A

>  <Target> (597)
ERK

>  <Form> (597)
Free Base

>  <CAS> (597)
839707-37-8

>  <URL> (597)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$
PLX7904.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (598)
639

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C24H22F2N6O3S

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>  <Name> (598)
PLX7904

>  <Synonyms> (598)
PB04

>  <Target> (598)
Raf

>  <Form> (598)
Free Base

>  <CAS> (598)
1393465-84-3

>  <URL> (598)
http://www.selleckchem.com/products/plx7904.html

$$$$
MRT68921.cdx
csChFnd80/09261916562D

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xHCl
M  END
>  <Mol_ID> (599)
640

>  <Formula> (599)
C26H36N6O2R

>  <MolWeight> (599)
464.60304

>  <Cat> (599)
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>  <Name> (599)
MRT67307 HCl

>  <Synonyms> (599)
N/A

>  <Target> (599)
I¦ÊB/IKK

>  <Form> (599)
hydrochloride

>  <CAS> (599)
1190378-57-4 (free-base)

>  <URL> (599)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/09261916562D

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XHCl
M  END
>  <Mol_ID> (600)
641

>  <Formula> (600)
C25H34N6OR

>  <MolWeight> (600)
434.57706

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c-Met

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Free Base

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1173699-31-4

>  <URL> (605)
http://www.selleckchem.com/products/amg-337.html

$$$$
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647

>  <Formula> (606)
C19H13NO4

>  <MolWeight> (606)
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>  <Cat> (606)
S8289

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NQDI-1

>  <Synonyms> (606)
N/A

>  <Target> (606)
Caspase

>  <Form> (606)
Free Base

>  <CAS> (606)
175026-96-7

>  <URL> (606)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
csChFnd80/09261916562D

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648

>  <Formula> (607)
C15H11ClF3N5O4S

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>  <Cat> (607)
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Kobe0065

>  <Synonyms> (607)
N/A

>  <Target> (607)
Rho

>  <Form> (607)
Free Base

>  <CAS> (607)
436133-68-5

>  <URL> (607)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (608)
649

>  <Formula> (608)
C26H26N6O2S

>  <MolWeight> (608)
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>  <Cat> (608)
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>  <Name> (608)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (608)
BI 1482694, HM61713, HM71224

>  <Target> (608)
EGFR

>  <Form> (608)
Free Base

>  <CAS> (608)
1353550-13-6

>  <URL> (608)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
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  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> (609)
650

>  <Formula> (609)
C11H13IN4O4

>  <MolWeight> (609)
392.14979

>  <Cat> (609)
S8314

>  <Name> (609)
5-Iodotubercidin

>  <Synonyms> (609)
NSC 113939, 5-ITu

>  <Target> (609)
Adenosine Receptor

>  <Form> (609)
Free Base

>  <CAS> (609)
24386-93-4

>  <URL> (609)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/09261916562D

 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> (610)
651

>  <Formula> (610)
C29H50O2

>  <MolWeight> (610)
430.7061

>  <Cat> (610)
S4686

>  <Name> (610)
Vitamin E

>  <Synonyms> (610)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (610)
COX,VEGFR

>  <Form> (610)
Free Base

>  <CAS> (610)
21590

>  <URL> (610)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/09261916562D

 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
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    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> (611)
652

>  <Formula> (611)
C15H10O4

>  <MolWeight> (611)
254.2375

>  <Cat> (611)
S8319

>  <Name> (611)
7,8-Dihydroxyflavone

>  <Synonyms> (611)
7,8-DHF

>  <Target> (611)
Trk receptor

>  <Form> (611)
Free Base

>  <CAS> (611)
38183-03-8

>  <URL> (611)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
LY3023414.cdx
csChFnd80/09261916562D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 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
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    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8558    6.8324    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  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
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  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 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  1  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (612)
653

>  <Formula> (612)
C23H26N4O3

>  <MolWeight> (612)
406.47754

>  <Cat> (612)
S8322

>  <Name> (612)
LY3023414

>  <Synonyms> (612)
GTPL8918

>  <Target> (612)
Akt

>  <Form> (612)
Free Base

>  <CAS> (612)
1386874-06-1

>  <URL> (612)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/09261916562D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0995    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (613)
654

>  <Formula> (613)
C24H24FN7O

>  <MolWeight> (613)
445.4920632

>  <Cat> (613)
S8292

>  <Name> (613)
Selonsertib (GS-4997)

>  <Synonyms> (613)
N/A

>  <Target> (613)
Caspase

>  <Form> (613)
Free Base

>  <CAS> (613)
1448428-04-3

>  <URL> (613)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
LY333531.cdx
csChFnd80/09261916562D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.1134    7.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (614)
655

>  <Formula> (614)
C28H29ClN4O3

>  <MolWeight> (614)
505.00786

>  <Cat> (614)
S7663

>  <Name> (614)
LY333531 HCl

>  <Synonyms> (614)
Ruboxistaurin

>  <Target> (614)
PKC

>  <Form> (614)
hydrochloride

>  <CAS> (614)
169939-93-9

>  <URL> (614)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (615)
656

>  <Formula> (615)
C25H23Cl2FN6O

>  <MolWeight> (615)
513.3941232

>  <Cat> (615)
S7807

>  <Name> (615)
FRAX486

>  <Synonyms> (615)
N/A

>  <Target> (615)
PAK

>  <Form> (615)
Free Base

>  <CAS> (615)
1232030-35-1

>  <URL> (615)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (616)
657

>  <Formula> (616)
C12H15N2O11V

>  <MolWeight> (616)
414.1958

>  <Cat> (616)
S8174

>  <Name> (616)
VO-Ohpic trihydrate

>  <Synonyms> (616)
N/A

>  <Target> (616)
Others

>  <Form> (616)
trihydrate

>  <CAS> (616)
476310-60-8

>  <URL> (616)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (617)
658

>  <Formula> (617)
C19H14FN3O3S

>  <MolWeight> (617)
383.3961632

>  <Cat> (617)
S8242

>  <Name> (617)
EAI045

>  <Synonyms> (617)
N/A

>  <Target> (617)
EGFR

>  <Form> (617)
Free Base

>  <CAS> (617)
1942114-09-1

>  <URL> (617)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/09261916562D

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659

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C16H16O5

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288.29524

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S8279

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Shikonin

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N/A

>  <Target> (618)
Others

>  <Form> (618)
Free Base

>  <CAS> (618)
517-89-5

>  <URL> (618)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/09261916562D

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660

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C22H31N9O3

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AZD8835

>  <Synonyms> (619)
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>  <Target> (619)
PI3K

>  <Form> (619)
Free Base

>  <CAS> (619)
1620576-64-8

>  <URL> (619)
http://www.selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/09261916562D

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661

>  <Formula> (620)
C18H15N5O6S2

>  <MolWeight> (620)
461.4716

>  <Cat> (620)
S8251

>  <Name> (620)
Necrosulfonamide

>  <Synonyms> (620)
N/A

>  <Target> (620)
Others

>  <Form> (620)
Free Base

>  <CAS> (620)
1360614-48-7

>  <URL> (620)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
BAY-61-3606.cdx
csChFnd80/09261916562D

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662

>  <Formula> (621)
C20H20Cl2N6O3

>  <MolWeight> (621)
463.3172

>  <Cat> (621)
S7006

>  <Name> (621)
BAY-61-3606

>  <Synonyms> (621)
N/A

>  <Target> (621)
Syk

>  <Form> (621)
dihydrochloride

>  <CAS> (621)
648903-57-5

>  <URL> (621)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
WNK463.cdx
csChFnd80/09261916562D

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Free Base

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2012607-27-9

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http://www.selleckchem.com/products/wnk463.html

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N/A

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Trk receptor

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sulfate

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1223405-08-0

>  <URL> (623)
http://www.selleckchem.com/products/loxo-101.html

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665

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C23H22ClN3O3

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APS-2-79 HCl

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N/A

>  <Target> (624)
MEK

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hydrochloride

>  <CAS> (624)
2002381-31-7

>  <URL> (624)
http://www.selleckchem.com/products/aps-2-79.html

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N/A

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EGFR

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Free Base

>  <CAS> (625)
113104-25-9

>  <URL> (625)
http://www.selleckchem.com/products/nsc228155.html

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M  END
>  <Mol_ID> (626)
667

>  <Formula> (626)
C23H28N8O

>  <MolWeight> (626)
432.52142

>  <Cat> (626)
S7144

>  <Name> (626)
BMS-911543

>  <Synonyms> (626)
N/A

>  <Target> (626)
JAK

>  <Form> (626)
Free Base

>  <CAS> (626)
1271022-90-2

>  <URL> (626)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/09261916562D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (627)
668

>  <Formula> (627)
C23H22O6

>  <MolWeight> (627)
394.41718

>  <Cat> (627)
S8132

>  <Name> (627)
Deguelin

>  <Synonyms> (627)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (627)
Akt

>  <Form> (627)
Free Base

>  <CAS> (627)
522-17-8

>  <URL> (627)
http://www.selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/09261916562D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (628)
669

>  <Formula> (628)
C22H15F3N4O2

>  <MolWeight> (628)
424.3753096

>  <Cat> (628)
S8189

>  <Name> (628)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (628)
N/A

>  <Target> (628)
VEGFR

>  <Form> (628)
Free Base

>  <CAS> (628)
861875-60-7

>  <URL> (628)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/09261916562D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (629)
670

>  <Formula> (629)
C19H20F2N4O4

>  <MolWeight> (629)
406.3833064

>  <Cat> (629)
S8125

>  <Name> (629)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (629)
N/A

>  <Target> (629)
p38 MAPK

>  <Form> (629)
Free Base

>  <CAS> (629)
449811-01-2

>  <URL> (629)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OICR-9429.cdx
csChFnd80/09261916562D

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671

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C29H32F3N5O3

>  <MolWeight> (630)
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>  <Cat> (630)
S7833

>  <Name> (630)
OICR-9429

>  <Synonyms> (630)
N/A

>  <Target> (630)
Histone Methyltransferase

>  <Form> (630)
Free Base

>  <CAS> (630)
1801787-56-3

>  <URL> (630)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (631)
672

>  <Formula> (631)
C23H16F3N3O3

>  <MolWeight> (631)
439.3866496

>  <Cat> (631)
S8188

>  <Name> (631)
BFH772

>  <Synonyms> (631)
BFH 772, BFH-772

>  <Target> (631)
VEGFR

>  <Form> (631)
Free Base

>  <CAS> (631)
890128-81-1

>  <URL> (631)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (632)
673

>  <Formula> (632)
C29H31ClN8O5

>  <MolWeight> (632)
607.06004

>  <Cat> (632)
S7687

>  <Name> (632)
GSK269962 HCl

>  <Synonyms> (632)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (632)
ROCK

>  <Form> (632)
hydrochloride

>  <CAS> (632)
850664-21-0(free base)

>  <URL> (632)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (633)
674

>  <Formula> (633)
C16H14BrNO5S

>  <MolWeight> (633)
412.25506

>  <Cat> (633)
S8228

>  <Name> (633)
NT157

>  <Synonyms> (633)
N/A

>  <Target> (633)
IGF-1R

>  <Form> (633)
Free Base

>  <CAS> (633)
1384426-12-3

>  <URL> (633)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/09261916562D

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Syk

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Free Base

>  <CAS> (634)
1446790-62-0

>  <URL> (634)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
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676

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C26H24N8O2

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>  <Name> (635)
ARRY-380 (ONT-380)

>  <Synonyms> (635)
Tucatinib

>  <Target> (635)
HER2

>  <Form> (635)
Free Base

>  <CAS> (635)
937263-43-9

>  <URL> (635)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/09261916562D

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c-Met

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Free Base

>  <CAS> (636)
1206799-15-6

>  <URL> (636)
http://www.selleckchem.com/products/ly2801653-merestinib.html

$$$$
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csChFnd80/09261916562D

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678

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GDC-0084

>  <Synonyms> (637)
N/A

>  <Target> (637)
PI3K

>  <Form> (637)
Free Base

>  <CAS> (637)
1382979-44-3

>  <URL> (637)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
ML-7.cdx
csChFnd80/09261916562D

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ML-7 HCl

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N/A

>  <Target> (638)
Others

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hydrochloride

>  <CAS> (638)
110448-33-4

>  <URL> (638)
http://www.selleckchem.com/products/ml-7.html

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>  <Formula> (639)
C16H16N8O

>  <MolWeight> (639)
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CC-115

>  <Synonyms> (639)
N/A

>  <Target> (639)
DNA-PK

>  <Form> (639)
Free Base

>  <CAS> (639)
1228013-15-7

>  <URL> (639)
http://www.selleckchem.com/products/cc-115.html

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C22H29N5O4S

>  <MolWeight> (640)
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N/A

>  <Target> (640)
mTOR

>  <Form> (640)
Free Base

>  <CAS> (640)
1429639-50-8

>  <URL> (640)
http://www.selleckchem.com/products/cz415.html

$$$$
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>  <Formula> (641)
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>  <Cat> (641)
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>  <Target> (641)
ACK

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>  <CAS> (641)
1345098-78-3

>  <URL> (641)
http://www.selleckchem.com/products/xmd16-5.html

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    1.2082    8.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    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
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  3  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 16 20  1  0  0  0  0
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 23 17  1  0  0  0  0
 15 24  1  0  0  0  0
 18 25  2  0  0  0  0
  8 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 30  1  0  0  0  0
 30  8  1  0  0  0  0
 28 31  1  0  0  0  0
  1 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (642)
683

>  <Formula> (642)
C24H27N7O2

>  <MolWeight> (642)
445.51688

>  <Cat> (642)
S8272

>  <Name> (642)
XMD8-87

>  <Synonyms> (642)
N/A

>  <Target> (642)
ACK

>  <Form> (642)
Free Base

>  <CAS> (642)
1234480-46-6

>  <URL> (642)
http://www.selleckchem.com/products/xmd8-87.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/09261916562D

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5200    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4617    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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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
  1 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 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 14  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 11  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (643)
684

>  <Formula> (643)
C25H30N6O2

>  <MolWeight> (643)
446.5447

>  <Cat> (643)
S8401

>  <Name> (643)
JNJ-42756493 (Erdafitinib)

>  <Synonyms> (643)
N/A

>  <Target> (643)
FGFR

>  <Form> (643)
Free Base

>  <CAS> (643)
1346242-81-6

>  <URL> (643)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
Y-39983 HCl.cdx
csChFnd80/09261916562D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6794    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6390    3.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6008    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1665    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9541    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    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
  2  7  1  0  0  0  0
  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
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 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> (644)
685

>  <Formula> (644)
C16H18Cl2N4O

>  <MolWeight> (644)
353.24632

>  <Cat> (644)
S7935

>  <Name> (644)
Y-39983 HCl

>  <Synonyms> (644)
Y-33075 HCl

>  <Target> (644)
ROCK

>  <Form> (644)
dihydrochloride

>  <CAS> (644)
173897-44-4

>  <URL> (644)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/09261916562D

 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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  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  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
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 23 18  1  0  0  0  0
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 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> (645)
686

>  <Formula> (645)
C21H20N2O3S

>  <MolWeight> (645)
380.4601

>  <Cat> (645)
S8448

>  <Name> (645)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (645)
N/A

>  <Target> (645)
ROCK

>  <Form> (645)
Free Base

>  <CAS> (645)
557782-81-7

>  <URL> (645)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/09261916562D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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  6  1  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
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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> (646)
687

>  <Formula> (646)
C19H10N2O3

>  <MolWeight> (646)
314.2943

>  <Cat> (646)
S8274

>  <Name> (646)
STO-609

>  <Synonyms> (646)
N/A

>  <Target> (646)
CaMK

>  <Form> (646)
Free Base

>  <CAS> (646)
52029-86-4

>  <URL> (646)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/09261916562D

 37 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (647)
688

>  <Formula> (647)
C24H34F6O3

>  <MolWeight> (647)
484.5153792

>  <Cat> (647)
S7940

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NSC12

>  <Synonyms> (647)
NSC 172285

>  <Target> (647)
FGFR

>  <Form> (647)
Free Base

>  <CAS> (647)
102586-30-1

>  <URL> (647)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (648)
689

>  <Formula> (648)
C31H30Cl3N7O2

>  <MolWeight> (648)
638.9746

>  <Cat> (648)
S7549

>  <Name> (648)
THZ1 2HCl

>  <Synonyms> (648)
N/A

>  <Target> (648)
CDK

>  <Form> (648)
dihydrochloride

>  <CAS> (648)
1604810-83-4(free base)

>  <URL> (648)
http://www.selleckchem.com/products/thz1.html

$$$$
GSK2269557.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (649)
690

>  <Formula> (649)
C26H28N6O

>  <MolWeight> (649)
440.54012

>  <Cat> (649)
S7937

>  <Name> (649)
GSK2269557

>  <Synonyms> (649)
Nemiralisib

>  <Target> (649)
PI3K

>  <Form> (649)
Free Base

>  <CAS> (649)
1254036-71-9

>  <URL> (649)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
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csChFnd80/09261916562D

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691

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C22H22N4O4S

>  <MolWeight> (650)
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>  <Cat> (650)
S8404

>  <Name> (650)
S49076

>  <Synonyms> (650)
N/A

>  <Target> (650)
c-Met  & FGFR

>  <Form> (650)
Free Base

>  <CAS> (650)
1265965-22-7

>  <URL> (650)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (651)
692

>  <Formula> (651)
C20H19FN4O2S

>  <MolWeight> (651)
398.4538632

>  <Cat> (651)
S8261

>  <Name> (651)
GSK583

>  <Synonyms> (651)
N/A

>  <Target> (651)
NF-¦ÊB

>  <Form> (651)
Free Base

>  <CAS> (651)
1346547-00-9

>  <URL> (651)
http://www.selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (652)
693

>  <Formula> (652)
C27H25ClN6

>  <MolWeight> (652)
468.9806

>  <Cat> (652)
S8339

>  <Name> (652)
Miransertib (ARQ 092)HCl

>  <Synonyms> (652)
Miransertib

>  <Target> (652)
Akt

>  <Form> (652)
hydrochloride

>  <CAS> (652)
1313883-00-9

>  <URL> (652)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (653)
694

>  <Formula> (653)
C21H25N7O

>  <MolWeight> (653)
391.4695

>  <Cat> (653)
S8456

>  <Name> (653)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (653)
N/A

>  <Target> (653)
PI3K

>  <Form> (653)
Free Base

>  <CAS> (653)
1383716-46-8

>  <URL> (653)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
OTS514.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (654)
695

>  <Formula> (654)
C21H21ClN2O2S

>  <MolWeight> (654)
400.92164

>  <Cat> (654)
S7652

>  <Name> (654)
OTS514 hydrochloride

>  <Synonyms> (654)
N/A

>  <Target> (654)
TOPK

>  <Form> (654)
hydrochloride

>  <CAS> (654)
1338540-63-8(free base)

>  <URL> (654)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (655)
697

>  <Formula> (655)
C17H20N6O2

>  <MolWeight> (655)
340.3797

>  <Cat> (655)
S8275

>  <Name> (655)
eFT-508 (eFT508)

>  <Synonyms> (655)
N/A

>  <Target> (655)
MNK

>  <Form> (655)
Free Base

>  <CAS> (655)
1849590-01-7

>  <URL> (655)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (656)
698

>  <Formula> (656)
C14H17Cl2N5O4S

>  <MolWeight> (656)
422.28688

>  <Cat> (656)
S8457

>  <Name> (656)
UK-371804 HCl

>  <Synonyms> (656)
UK-371804 HCl

>  <Target> (656)
Serine Protease

>  <Form> (656)
hydrochloride

>  <CAS> (656)
256476-36-5

>  <URL> (656)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
S7743-CCT196969.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (657)
699

>  <Formula> (657)
C27H24FN7O3

>  <MolWeight> (657)
513.5229632

>  <Cat> (657)
S7743

>  <Name> (657)
CCT196969

>  <Synonyms> (657)
N/A

>  <Target> (657)
Raf

>  <Form> (657)
Free Base

>  <CAS> (657)
1163719-56-9

>  <URL> (657)
http://www.selleckchem.com/products/cct196969.html

$$$$
LY2857785.cdx
csChFnd80/09261916562D

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Kinesin

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1554458-53-5

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http://www.selleckchem.com/products/bay-1217389.html

$$$$
ASP8273 (Naquotinib).cdx
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EGFR

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1448232-80-1

>  <URL> (660)
http://www.selleckchem.com/products/naquotinib-asp8273.html

$$$$
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1453834-21-3

>  <URL> (661)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

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 10  9  1  6  0  0  0
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 14 10  1  0  0  0  0
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 15  9  1  0  0  0  0
 15 16  2  0  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (662)
704

>  <Formula> (662)
C25H23ClN6O3

>  <MolWeight> (662)
490.94152

>  <Cat> (662)
S8166

>  <Name> (662)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (662)
N/A

>  <Target> (662)
BTK

>  <Form> (662)
hydrochloride

>  <CAS> (662)
1439901-97-9

>  <URL> (662)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (663)
705

>  <Formula> (663)
C19H15N3O2

>  <MolWeight> (663)
317.3413

>  <Cat> (663)
S7954

>  <Name> (663)
CP21R7 (CP21)

>  <Synonyms> (663)
N/A

>  <Target> (663)
Wnt/beta-catenin

>  <Form> (663)
Free Base

>  <CAS> (663)
125314-13-8

>  <URL> (663)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/09261916562D

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A   23
xH2O
M  END
>  <Mol_ID> (664)
706

>  <Formula> (664)
C14H18ClN3O3RS

>  <MolWeight> (664)
343.82902

>  <Cat> (664)
S8208

>  <Name> (664)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (664)
N/A

>  <Target> (664)
ROCK

>  <Form> (664)
hydrochloride

>  <CAS> (664)
155558-32-0 (HCl salt)

>  <URL> (664)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
NCB-0846.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (665)
707

>  <Formula> (665)
C21H21N5O2

>  <MolWeight> (665)
375.42374

>  <Cat> (665)
S8392

>  <Name> (665)
NCB-0846

>  <Synonyms> (665)
N/A

>  <Target> (665)
Wnt/beta-catenin

>  <Form> (665)
Free Base

>  <CAS> (665)
1792999-26-8

>  <URL> (665)
http://www.selleckchem.com/products/ncb-0846.html

$$$$
SUN11602.cdx
csChFnd80/09261916562D

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FGFR

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Free Base

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704869-38-5

>  <URL> (666)
http://www.selleckchem.com/products/sun11602.html

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csChFnd80/09261916562D

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>  <Synonyms> (667)
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>  <Target> (667)
PI3K

>  <Form> (667)
Free Base

>  <CAS> (667)
1532533-67-7

>  <URL> (667)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/09261916562D

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>  <Formula> (668)
C26H31ClN6O2

>  <MolWeight> (668)
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>  <Cat> (668)
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>  <Name> (668)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (668)
N/A

>  <Target> (668)
EGFR

>  <Form> (668)
Free Base

>  <CAS> (668)
1508250-71-2

>  <URL> (668)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
OTS964.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (669)
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>  <Formula> (669)
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OTS964

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N/A

>  <Target> (669)
Others

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dihydrochloride

>  <CAS> (669)
1338545-07-5(HCl salt)

>  <URL> (669)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/09261916562D

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JNK

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hydrochloride

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899805-25-5 (free base)

>  <URL> (670)
http://www.selleckchem.com/products/cc-930.html

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N/A

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FGFR

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Free Base

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192705-79-6

>  <URL> (671)
http://www.selleckchem.com/products/pd-166866.html

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N/A

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FGFR

>  <Form> (672)
Free Base

>  <CAS> (672)
1707289-21-1

>  <URL> (672)
http://www.selleckchem.com/products/blu-554.html

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ROCK

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817194-38-0

>  <URL> (673)
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FAK

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Free Base

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1224887-10-8

>  <URL> (674)
http://www.selleckchem.com/products/gsk2256098.html

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C18H26Cl2N6O

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PRT-060318 (PRT318)

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PRT318

>  <Target> (675)
Syk

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hydrochloride salt

>  <CAS> (675)
1194961-19-7 (free base)

>  <URL> (675)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

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C33H34N4O3

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CFI-400945

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PLK

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Free Base

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1338806-73-7

>  <URL> (676)
http://www.selleckchem.com/products/cfi-400945.html

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1943733-16-1

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>  <Form> (679)
free base

>  <CAS> (679)
1879887-96-3

>  <URL> (679)
http://www.selleckchem.com/products/lturm34.html

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free base

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1384071-99-1

>  <URL> (680)
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M  END
>  <Mol_ID> (682)
724

>  <Formula> (682)
C19H22N6O3

>  <MolWeight> (682)
382.41638

>  <Cat> (682)
S8157

>  <Name> (682)
GDC-0326

>  <Synonyms> (682)
N/A

>  <Target> (682)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (682)
free base

>  <CAS> (682)
1282514-88-8

>  <URL> (682)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
MSC2530818.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (683)
726

>  <Formula> (683)
C18H17ClN4O

>  <MolWeight> (683)
340.80678

>  <Cat> (683)
S8387

>  <Name> (683)
MSC2530818

>  <Synonyms> (683)
N/A

>  <Target> (683)
CDK8

>  <Form> (683)
free base

>  <CAS> (683)
1883423-59-3

>  <URL> (683)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (684)
727

>  <Formula> (684)
C33H29F2N5O4S

>  <MolWeight> (684)
629.6762664

>  <Cat> (684)
S8573

>  <Name> (684)
Sitravatinib (MGCD516)

>  <Synonyms> (684)
MG-516

>  <Target> (684)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (684)
free base

>  <CAS> (684)
1123837-84-2

>  <URL> (684)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
TPX-0005.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (685)
728

>  <Formula> (685)
C18H18FN5O2

>  <MolWeight> (685)
355.3662232

>  <Cat> (685)
S8583

>  <Name> (685)
TPX-0005

>  <Synonyms> (685)
N/A

>  <Target> (685)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (685)
free base

>  <CAS> (685)
no

>  <URL> (685)
http://www.selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/09261916562D

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>  <Target> (686)
human RIP1

>  <Form> (686)
free base

>  <CAS> (686)
1622848-92-3

>  <URL> (686)
http://www.selleckchem.com/products/gsk2982772.html

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csChFnd80/09261916562D

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730

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C31H33N5O2S

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>  <Cat> (687)
S8572

>  <Name> (687)
Amcasertib (BBI503)

>  <Synonyms> (687)
N/A

>  <Target> (687)
Nanog

>  <Form> (687)
free base

>  <CAS> (687)
1129403-56-0

>  <URL> (687)
http://www.selleckchem.com/products/amcasertib-bbi503.html

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SF2523.cdx
csChFnd80/09261916562D

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731

>  <Formula> (688)
C19H17NO5S

>  <MolWeight> (688)
371.40698

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SF2523

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N/A

>  <Target> (688)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (688)
free base

>  <CAS> (688)
1174428-47-7

>  <URL> (688)
http://www.selleckchem.com/products/sf2523.html

$$$$
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csChFnd80/09261916562D

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>  <Formula> (689)
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N/A

>  <Target> (689)
PI3K¦Ã

>  <CAS> (689)
1693758-51-8

>  <URL> (689)
http://www.selleckchem.com/products/ipi-549.html

$$$$
TAK-659.cdx
csChFnd80/09261916562D

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TAK-659

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N/A

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Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (690)
hydrochloride 

>  <CAS> (690)
1952251-28-3

>  <URL> (690)
http://www.selleckchem.com/products/tak-659.html

$$$$
PF-06273340.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (691)
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C23H22ClN7O3

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>  <Cat> (691)
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>  <Name> (691)
PF-06273340

>  <Synonyms> (691)
N/A

>  <Target> (691)
TrkC,TrkB,TrkA

>  <Form> (691)
free base

>  <CAS> (691)
1402438-74-7

>  <URL> (691)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/09261916562D

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C19H17N3O2S2

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GSK'872 (GSK2399872A)

>  <Synonyms> (692)
N/A

>  <Target> (692)
RIP3K

>  <Form> (692)
Free base

>  <CAS> (692)
1346546-69-7

>  <URL> (692)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/09261916562D

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736

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C19H17N5O3

>  <MolWeight> (693)
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Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (693)
N/A

>  <Target> (693)
PI3K¦Á 

>  <Form> (693)
Free base

>  <CAS> (693)
1268454-23-4

>  <URL> (693)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/09261916562D

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737

>  <Formula> (694)
C2HCl2NaO2

>  <MolWeight> (694)
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>  <Name> (694)
Sodium dichloroacetate (DCA)

>  <Synonyms> (694)
bichloroacetic acid, BCA

>  <Target> (694)
PDK

>  <Form> (694)
sodium salt

>  <CAS> (694)
2156-56-1

>  <URL> (694)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/09261916562D

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 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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 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (695)
738

>  <Formula> (695)
C33H44FN5O3

>  <MolWeight> (695)
577.7325632

>  <Cat> (695)
S8511

>  <Name> (695)
Belizatinib (TSR-011)

>  <Synonyms> (695)
N/A

>  <Target> (695)
ALK,TRK

>  <Form> (695)
free base

>  <CAS> (695)
1357920-84-3

>  <URL> (695)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/09261916562D

 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> (696)
739

>  <Formula> (696)
C14H11ClN6O3

>  <MolWeight> (696)
346.72854

>  <Cat> (696)
S8596

>  <Name> (696)
Autophinib

>  <Synonyms> (696)
N/A

>  <Target> (696)
autophagy

>  <Form> (696)
free base

>  <CAS> (696)
1644443-47-9

>  <URL> (696)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (697)
740

>  <Formula> (697)
C26H30Cl2N6O4

>  <MolWeight> (697)
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>  <Cat> (697)
S8578

>  <Name> (697)
PRN1371

>  <Synonyms> (697)
N/A

>  <Target> (697)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (697)
free base

>  <CAS> (697)
1802929-43-6

>  <URL> (697)
http://www.selleckchem.com/products/prn1371.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (698)
741

>  <Formula> (698)
C29H44N8O3

>  <MolWeight> (698)
552.71146

>  <Cat> (698)
S7754

>  <Name> (698)
Gilteritinib (ASP2215)

>  <Synonyms> (698)
N/A

>  <Target> (698)
FLT3,Axl 

>  <Form> (698)
free base

>  <CAS> (698)
1254053-43-4

>  <URL> (698)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (699)
742

>  <Formula> (699)
C20H14ClN3O2

>  <MolWeight> (699)
363.79706

>  <Cat> (699)
S8632

>  <Name> (699)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (699)
N/A

>  <Target> (699)
Chk2

>  <Form> (699)
free base

>  <CAS> (699)
516480-79-8

>  <URL> (699)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (700)
743

>  <Formula> (700)
C22H27N7O2S

>  <MolWeight> (700)
453.56048

>  <Cat> (700)
S8534

>  <Name> (700)
LY3214996

>  <Synonyms> (700)
N/A

>  <Target> (700)
ERK1,ERK2

>  <Form> (700)
free base

>  <CAS> (700)
1951483-29-6

>  <URL> (700)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (701)
744

>  <Formula> (701)
C19H16ClNO3

>  <MolWeight> (701)
341.78824

>  <Cat> (701)
S8335

>  <Name> (701)
PF-06409577

>  <Synonyms> (701)
N/A

>  <Target> (701)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (701)
free base

>  <CAS> (701)
1467057-23-3

>  <URL> (701)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (702)
745

>  <Formula> (702)
C18H19NO2S2

>  <MolWeight> (702)
345.47896

>  <Cat> (702)
S8616

>  <Name> (702)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (702)
N/A

>  <Target> (702)
PKM2

>  <Form> (702)
free base

>  <CAS> (702)
94164-88-2

>  <URL> (702)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/09261916562D

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1093119-54-0

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free base

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1801343-74-7

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free base

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545-47-1

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

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    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> (707)
751

>  <Formula> (707)
C11H16O2

>  <MolWeight> (707)
180.24354

>  <Cat> (707)
S5119

>  <Name> (707)
Olivetol

>  <Synonyms> (707)
5-Pentylresorcinol, 5-n-Amylresorcinol

>  <Target> (707)
CB1,CB2,CYP1A1,CYP2C19

>  <Form> (707)
free base

>  <CAS> (707)
500-66-3

>  <URL> (707)
http://www.selleckchem.com/products/olivetol.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/09261916562D

 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> (708)
752

>  <Formula> (708)
C17H15N9

>  <MolWeight> (708)
345.3613

>  <Cat> (708)
S7674

>  <Name> (708)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (708)
Volitinib

>  <Target> (708)
MET

>  <Form> (708)
free base

>  <CAS> (708)
1313725-88-0

>  <URL> (708)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/09261916562D

 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> (709)
753

>  <Formula> (709)
C14H27NaO5S

>  <MolWeight> (709)
330.41595

>  <Cat> (709)
S3801

>  <Name> (709)
Sodium Houttuyfonate

>  <Synonyms> (709)
N/A

>  <Target> (709)
Antifection

>  <Form> (709)
sodium salt

>  <CAS> (709)
1847-58-1

>  <URL> (709)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/09261916562D

 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
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 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> (710)
754

>  <Formula> (710)
C18H24O

>  <MolWeight> (710)
256.38256

>  <Cat> (710)
S3813

>  <Name> (710)
Bakuchiol

>  <Synonyms> (710)
(S)-(+)-Bakuchiol

>  <Target> (710)
Immunology & Inflammation related

>  <Form> (710)
free base

>  <CAS> (710)
10309-37-2

>  <URL> (710)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
H3B-6527.cdx
csChFnd80/09261916562D

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    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
    8.4870    7.0000    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
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  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
    3.6373    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
    1.2124    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
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 O   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
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
  7 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  7  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 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
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 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
 37 38  1  0  0  0  0
 33 39  1  0  0  0  0
 36 40  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
>  <Mol_ID> (711)
755

>  <Formula> (711)
C29H34Cl2N8O4

>  <MolWeight> (711)
629.53746

>  <Cat> (711)
S8675

>  <Name> (711)
H3B-6527

>  <Synonyms> (711)
N/A

>  <Target> (711)
FGFR4

>  <Form> (711)
free base

>  <CAS> (711)
1702259-66-2

>  <URL> (711)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (712)
756

>  <Formula> (712)
C18H18N4O2

>  <MolWeight> (712)
322.36112

>  <Cat> (712)
S8663

>  <Name> (712)
Takinib

>  <Synonyms> (712)
EDHS-206

>  <Target> (712)
TAK1,IRAK4,IRAK1

>  <Form> (712)
free base

>  <CAS> (712)
1111556-37-6

>  <URL> (712)
http://www.selleckchem.com/products/takinib.html

$$$$
PF-06651600.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (713)
758

>  <Formula> (713)
C15H19N5O

>  <MolWeight> (713)
285.34426

>  <Cat> (713)
S8538

>  <Name> (713)
PF-06651600

>  <Synonyms> (713)
N/A

>  <Target> (713)
JAK3 

>  <Form> (713)
free base

>  <CAS> (713)
1792180-81-4

>  <URL> (713)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (714)
759

>  <Formula> (714)
C15H10O5

>  <MolWeight> (714)
270.2369

>  <Cat> (714)
S8696

>  <Name> (714)
2-D08
2-D08

>  <Synonyms> (714)
2',3',4'-trihydroxy flavone

>  <Target> (714)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (714)
free base

>  <CAS> (714)
144707-18-6

>  <URL> (714)
http://selleckchem.com/products/2-d08.html

$$$$
S5045 Nomilin.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (715)
761

>  <Formula> (715)
C28H34O9

>  <MolWeight> (715)
514.56416

>  <Cat> (715)
S5045

>  <Name> (715)
Nomilin

>  <Synonyms> (715)
N/A

>  <Target> (715)
Others

>  <Form> (715)
free base

>  <CAS> (715)
1063-77-0

>  <URL> (715)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (716)
762

>  <Formula> (716)
C21H17ClF4N4O4

>  <MolWeight> (716)
500.8306928

>  <Cat> (716)
S5077

>  <Name> (716)
Regorafenib Monohydrate

>  <Synonyms> (716)
N/A

>  <Target> (716)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (716)
monohydrate

>  <CAS> (716)
1019206-88-2

>  <URL> (716)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
BGB-3111.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (717)
763

>  <Formula> (717)
C24H25N5O3

>  <MolWeight> (717)
431.487

>  <Cat> (717)
S8542

>  <Name> (717)
Btk inhibitor 2

>  <Synonyms> (717)
N/A

>  <Target> (717)
BTK

>  <Form> (717)
free base

>  <CAS> (717)
1558036-85-3

>  <URL> (717)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (718)
764

>  <Formula> (718)
C28H25F3N6O

>  <MolWeight> (718)
518.5329096

>  <Cat> (718)
S8658

>  <Name> (718)
kira6

>  <Synonyms> (718)
N/A

>  <Target> (718)
Others

>  <CAS> (718)
1589527-65-0

>  <URL> (718)
http://selleckchem.com/products/kira6.html

$$$$
SNS-314.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (719)
765

>  <Formula> (719)
C18H15ClN6OS2

>  <MolWeight> (719)
430.9343

>  <Cat> (719)
S8699

>  <Name> (719)
SNS-314 Mesylate

>  <Synonyms> (719)
N/A

>  <Target> (719)
Aurora Kinase

>  <CAS> (719)
1057249-41-8

>  <URL> (719)
http://selleckchem.com/products/sns-314.html

$$$$
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csChFnd80/09261916562D

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>  <Mol_ID> (720)
766

>  <Formula> (720)
C31H26N4O3

>  <MolWeight> (720)
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>  <Cat> (720)
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>  <Name> (720)
BMS-935177

>  <Synonyms> (720)
N/A

>  <Target> (720)
BTK,Trk receptor,c-RET

>  <Form> (720)
free base

>  <CAS> (720)
1231889-53-4

>  <URL> (720)
http://selleckchem.com/products/bms-935177.html

$$$$
KPT-9274.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (721)
767

>  <Formula> (721)
C35H29F3N4O3

>  <MolWeight> (721)
610.6249696

>  <Cat> (721)
S8444

>  <Name> (721)
KPT-9274

>  <Synonyms> (721)
N/A

>  <Target> (721)
NAMPT,PAK

>  <Form> (721)
free base

>  <CAS> (721)
1643913-93-2

>  <URL> (721)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (722)
768

>  <Formula> (722)
C20H18ClF2N5O3

>  <MolWeight> (722)
449.8384264

>  <Cat> (722)
S8555

>  <Name> (722)
Asciminib (ABL001)

>  <Synonyms> (722)
N/A

>  <Target> (722)
Bcr-Abl

>  <Form> (722)
free base

>  <CAS> (722)
1492952-76-7

>  <URL> (722)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (723)
769

>  <Formula> (723)
C23H18FN5O2

>  <MolWeight> (723)
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>  <Cat> (723)
S8672

>  <Name> (723)
Tenalisib (RP6530)

>  <Synonyms> (723)
N/A

>  <Target> (723)
PI3K

>  <Form> (723)
free base

>  <CAS> (723)
1639417-53-0

>  <URL> (723)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
RAF709.cdx
csChFnd80/09261916562D

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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  7  1  0  0  0  0
  9 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  9  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
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 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
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 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (724)
770

>  <Formula> (724)
C28H29F3N4O4

>  <MolWeight> (724)
542.5494696

>  <Cat> (724)
S8690

>  <Name> (724)
RAF709

>  <Synonyms> (724)
N/A

>  <Target> (724)
Raf

>  <Form> (724)
free base

>  <CAS> (724)
1628838-42-5

>  <URL> (724)
http://selleckchem.com/products/raf709.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/09261916562D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4262    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2138    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2099    3.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2503    2.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.2887    1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6015    1.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (725)
772

>  <Formula> (725)
C13H18N2O6

>  <MolWeight> (725)
298.29182

>  <Cat> (725)
S5060

>  <Name> (725)
 Metadoxine

>  <Synonyms> (725)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (725)
Others

>  <Form> (725)
salt

>  <CAS> (725)
74536-44-0

>  <URL> (725)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/09261916562D

 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
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (726)
773

>  <Formula> (726)
C10H16N5O8P

>  <MolWeight> (726)
365.236501

>  <Cat> (726)
S5284

>  <Name> (726)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (726)
5'-Adenylic acid, 5'-AMP

>  <Target> (726)
AMPK

>  <Form> (726)
hydrate 

>  <CAS> (726)
18422-05-4

>  <URL> (726)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/09261916562D

 14 10  0  0  0  0  0  0  0  0999 V2000
    7.1296    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4001    0.0000 Cl  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
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  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (727)
774

>  <Formula> (727)
C6H14Cl4N4

>  <MolWeight> (727)
284.01416

>  <Cat> (727)
S5321

>  <Name> (727)
Y15

>  <Synonyms> (727)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (727)
FAK

>  <Form> (727)
tetrahydrochloride 

>  <CAS> (727)
4506-66-5

>  <URL> (727)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/09261916562D

 21 23  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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 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  8  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (728)
776

>  <Formula> (728)
C18H16N2O

>  <MolWeight> (728)
276.33244

>  <Cat> (728)
S5313

>  <Name> (728)
SC66

>  <Synonyms> (728)
N/A

>  <Target> (728)
Akt

>  <Form> (728)
free base

>  <CAS> (728)
871361-88-5

>  <URL> (728)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/09261916562D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (729)
777

>  <Formula> (729)
C12H17N5O

>  <MolWeight> (729)
247.29628

>  <Cat> (729)
S5316

>  <Name> (729)
NU2058

>  <Synonyms> (729)
O(6)-Cyclohexylmethylguanine

>  <Target> (729)
CDK

>  <Form> (729)
free base

>  <CAS> (729)
161058-83-9

>  <URL> (729)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (730)
778

>  <Formula> (730)
C27H32FN5O2

>  <MolWeight> (730)
477.5736832

>  <Cat> (730)
S8680

>  <Name> (730)
AZD1390

>  <Synonyms> (730)
N/A

>  <Target> (730)
ATM/ATR

>  <Form> (730)
free base

>  <CAS> (730)
2089288-03-7

>  <URL> (730)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/09261916562D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (731)
779

>  <Formula> (731)
C22H25Cl2FN4O3

>  <MolWeight> (731)
483.3633032

>  <Cat> (731)
S5098

>  <Name> (731)
Gefitinib hydrochloride

>  <Synonyms> (731)
ZD1839 hydrochloride

>  <Target> (731)
EGFR

>  <Form> (731)
hydrochloride 

>  <CAS> (731)
184475-55-6

>  <URL> (731)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/09261916562D

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>  <Mol_ID> (732)
780

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C14H18N2O

>  <MolWeight> (732)
230.30552

>  <Cat> (732)
S8642

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GSK'963

>  <Synonyms> (732)
N/A

>  <Target> (732)
NF-¦ÊB,TNF-alpha

>  <Form> (732)
free base

>  <CAS> (732)
2049868-46-2

>  <URL> (732)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (733)
781

>  <Formula> (733)
C6H4K2NO8V

>  <MolWeight> (733)
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>  <Cat> (733)
S8651

>  <Name> (733)
bpV (HOpic)

>  <Synonyms> (733)
Bisperoxovanadium(HOpic)

>  <Target> (733)
PTEN

>  <Form> (733)
potassium 

>  <CAS> (733)
722494-26-0

>  <URL> (733)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (734)
782

>  <Formula> (734)
C23H24Cl2FN3O3

>  <MolWeight> (734)
480.3593632

>  <Cat> (734)
S8726

>  <Name> (734)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (734)
N/A

>  <Target> (734)
VEGFR

>  <Form> (734)
dihydrochloride 

>  <CAS> (734)
1360460-82-7

>  <URL> (734)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (735)
783

>  <Formula> (735)
C26H21F2N5O3

>  <MolWeight> (735)
489.4734464

>  <Cat> (735)
S8721

>  <Name> (735)
DCC-2618

>  <Synonyms> (735)
N/A

>  <Target> (735)
c-Kit

>  <CAS> (735)
 1225278-16-9

>  <URL> (735)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (736)
785

>  <Formula> (736)
C24H24F3N5O5S3

>  <MolWeight> (736)
615.6680696

>  <Cat> (736)
S5069

>  <Name> (736)
Dabrafenib Mesylate

>  <Synonyms> (736)
GSK2118436 Mesylate

>  <Target> (736)
Raf

>  <Form> (736)
mesylate

>  <CAS> (736)
1195768-06-9

>  <URL> (736)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/09261916562D

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   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> (737)
786

>  <Formula> (737)
C33H39N5O7S

>  <MolWeight> (737)
649.75706

>  <Cat> (737)
S5234

>  <Name> (737)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (737)
Intedanib, BIBF 1120

>  <Target> (737)
VEGFR,FGFR,PDGFR

>  <Form> (737)
ethanesulfonate 

>  <CAS> (737)
656247-18-6

>  <URL> (737)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/09261916562D

 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> (738)
787

>  <Formula> (738)
C29H31FN4O7

>  <MolWeight> (738)
566.5774432

>  <Cat> (738)
S5242

>  <Name> (738)
Cediranib Maleate

>  <Synonyms> (738)
AZD-2171 maleate

>  <Target> (738)
VEGFR

>  <Form> (738)
maleate

>  <CAS> (738)
 857036-77-2

>  <URL> (738)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/09261916562D

  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> (739)
789

>  <Formula> (739)
C3H3BrO3

>  <MolWeight> (739)
166.95812

>  <Cat> (739)
S5426

>  <Name> (739)
Bromopyruvic acid

>  <Synonyms> (739)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (739)
Others

>  <Form> (739)
free base

>  <CAS> (739)
1113-59-3

>  <URL> (739)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/09261916562D

 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> (740)
790

>  <Formula> (740)
C8H6BrN

>  <MolWeight> (740)
196.04394

>  <Cat> (740)
S5439

>  <Name> (740)
5-Bromoindole

>  <Synonyms> (740)
N/A

>  <Target> (740)
GSK-3

>  <Form> (740)
free base

>  <CAS> (740)
10075-50-0

>  <URL> (740)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/09261916562D

 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> (741)
791

>  <Formula> (741)
C11H12O4

>  <MolWeight> (741)
208.21058

>  <Cat> (741)
S5451

>  <Name> (741)
Ferulic acid methyl ester

>  <Synonyms> (741)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (741)
Immunology & Inflammation related

>  <Form> (741)
free base

>  <CAS> (741)
149567

>  <URL> (741)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/09261916562D

 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> (742)
792

>  <Formula> (742)
C20H14ClNO4

>  <MolWeight> (742)
367.78246

>  <Cat> (742)
S5452

>  <Name> (742)
Sanguinarine chloride

>  <Synonyms> (742)
N/A

>  <Target> (742)
phosphatase

>  <Form> (742)
chloride 

>  <CAS> (742)
5578-73-4

>  <URL> (742)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/09261916562D

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 31 32  1  0  0  0  0
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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (743)
793

>  <Formula> (743)
C29H36O15

>  <MolWeight> (743)
624.58714

>  <Cat> (743)
S5458

>  <Name> (743)
Verbascoside

>  <Synonyms> (743)
Acteoside, Kusaginin

>  <Target> (743)
Immunology & Inflammation related

>  <Form> (743)
free base

>  <CAS> (743)
61276-17-3

>  <URL> (743)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/09261916562D

 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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  1  2  1  0  0  0  0
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 11  9  1  0  0  0  0
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M  END
>  <Mol_ID> (744)
794

>  <Formula> (744)
C20H16O5

>  <MolWeight> (744)
336.33804

>  <Cat> (744)
S5464

>  <Name> (744)
Psoralidin

>  <Synonyms> (744)
N/A

>  <Target> (744)
Estrogen/progestogen Receptor

>  <Form> (744)
free base

>  <CAS> (744)
18642-23-4

>  <URL> (744)
http://selleckchem.com/products/psoralidin.html

$$$$
S5529 Galangin.cdx
csChFnd80/09261916562D

 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
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  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
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  4 10  1  0  0  0  0
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (745)
795

>  <Formula> (745)
C15H10O5

>  <MolWeight> (745)
270.2369

>  <Cat> (745)
S5529

>  <Name> (745)
Galangin

>  <Synonyms> (745)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (745)
P450 (e.g. CYP17)

>  <Form> (745)
free base

>  <CAS> (745)
548-83-4

>  <URL> (745)
http://selleckchem.com/products/galangin.html

$$$$
S5534 Cinchocaine.cdx
csChFnd80/09261916562D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (746)
796

>  <Formula> (746)
C20H29N3O2

>  <MolWeight> (746)
343.46316

>  <Cat> (746)
S5534

>  <Name> (746)
Cinchocaine

>  <Synonyms> (746)
Dibucaine

>  <Target> (746)
Others

>  <Form> (746)
free base

>  <CAS> (746)
85-79-0

>  <URL> (746)
http://selleckchem.com/products/cinchocaine.html

$$$$
UM-164.cdx
csChFnd80/09261916562D

 45 49  0  0  0  0  0  0  0  0999 V2000
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    8.4870    6.9418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9784    7.0724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    8.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    9.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (747)
797

>  <Formula> (747)
C30H31F3N8O3S

>  <MolWeight> (747)
640.6791496

>  <Cat> (747)
S8706

>  <Name> (747)
UM-164

>  <Synonyms> (747)
N/A

>  <Target> (747)
Src,p38 MAPK

>  <Form> (747)
free base

>  <CAS> (747)
903564-48-7

>  <URL> (747)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (748)
798

>  <Formula> (748)
C28H23ClF3N7O

>  <MolWeight> (748)
565.9767296

>  <Cat> (748)
S5205

>  <Name> (748)
Nilotinib hydrochloride

>  <Synonyms> (748)
AMN-107 HCl

>  <Target> (748)
Bcr-Abl

>  <Form> (748)
hydrochloride 

>  <CAS> (748)
923288-95-3

>  <URL> (748)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/09261916562D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (749)
799

>  <Formula> (749)
C22H23ClN4O7S

>  <MolWeight> (749)
522.95862

>  <Cat> (749)
S5240

>  <Name> (749)
lenvatinib Mesylate

>  <Synonyms> (749)
N/A

>  <Target> (749)
VEGFR

>  <Form> (749)
Mesylate

>  <CAS> (749)
 857890-39-2

>  <URL> (749)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/09261916562D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (750)
800

>  <Formula> (750)
C6HBr4N3

>  <MolWeight> (750)
434.70824

>  <Cat> (750)
S5265

>  <Name> (750)
TBB

>  <Synonyms> (750)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (750)
Casein Kinase

>  <CAS> (750)
17374-26-4

>  <URL> (750)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (751)
801

>  <Formula> (751)
C22H28FN4O6P

>  <MolWeight> (751)
494.4530842

>  <Cat> (751)
S5272

>  <Name> (751)
Toceranib phosphate

>  <Synonyms> (751)
SU11654

>  <Target> (751)
PDGFR¦Â

>  <Form> (751)
phosphate 

>  <CAS> (751)
874819-74-6

>  <URL> (751)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (752)
802

>  <Formula> (752)
C25H23ClN4O4

>  <MolWeight> (752)
478.92752

>  <Cat> (752)
S8711

>  <Name> (752)
ARQ 531

>  <Synonyms> (752)
N/A

>  <Target> (752)
BTK

>  <Form> (752)
free base

>  <CAS> (752)
2095393-15-8

>  <URL> (752)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/09261916562D

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>  <Mol_ID> (753)
804

>  <Formula> (753)
C30H34N8O3

>  <MolWeight> (753)
554.64276

>  <Cat> (753)
S8724

>  <Name> (753)
Lazertinib (YH25448,GNS-1480)

>  <Form> (753)
free base

>  <CAS> (753)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (754)
805

>  <Formula> (754)
C9H10O5

>  <MolWeight> (754)
198.1727

>  <Cat> (754)
S5550

>  <Name> (754)
Ethyl gallate

>  <Synonyms> (754)
N/A

>  <Target> (754)
NF-¦ÊB

>  <CAS> (754)
831-61-8

>  <URL> (754)
http://selleckchem.com/products/.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/09261916562D

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>  <CAS> (755)
 145572-44-7

$$$$
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(+)-Praeruptorin A

>  <Form> (756)
free base

>  <CAS> (756)
73069-27-9

$$$$
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csChFnd80/09261916562D

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>  <Form> (757)
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17673-25-5

$$$$
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>  <Cat> (758)
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free base

>  <CAS> (758)
17086-76-9

$$$$
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 40 43  1  6  0  0  0
 41 44  1  0  0  0  0
M  END
>  <Mol_ID> (759)
810

>  <Formula> (759)
C36H62O8

>  <MolWeight> (759)
622.87268

>  <Cat> (759)
S9023

>  <Name> (759)
20S-Ginsenoside Rh2

>  <Form> (759)
free base

>  <CAS> (759)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/09261916562D

 46 50  0  0  0  0  0  0  0  0999 V2000
   12.1266    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5545    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9159    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 38  1  0  0  0  0
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 39 40  1  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  5 23  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (760)
811

>  <Formula> (760)
C38H46O8

>  <MolWeight> (760)
630.76704

>  <Cat> (760)
S9031

>  <Name> (760)
Gambogenic acid

>  <Form> (760)
free base

>  <CAS> (760)
173932-75-7

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/09261916562D

 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
    4.8496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.1999    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
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  6  1  1  0  0  0  0
  4  7  1  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
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 14 15  2  0  0  0  0
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 17 20  1  0  0  0  0
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 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> (761)
812

>  <Formula> (761)
C21H20O6

>  <MolWeight> (761)
368.3799

>  <Cat> (761)
S9080

>  <Name> (761)
Anhydroicaritin

>  <Form> (761)
free base

>  <CAS> (761)
118525-40-9

$$$$
S9096 ligustroflavone.cdx
csChFnd80/09261916562D

 51 56  0  0  0  0  0  0  0  0999 V2000
    8.4860    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3451    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    4.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5582    4.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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$$$$
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$$$$
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>  <MolWeight> (764)
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>  <Cat> (764)
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>  <CAS> (764)
480-19-3

$$$$
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>  <CAS> (765)
51415-02-2

$$$$
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>  <MolWeight> (766)
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>  <Cat> (766)
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>  <Name> (766)
(20S)Ginsenoside Rg2

>  <Form> (766)
free base

>  <CAS> (766)
52286-74-5

$$$$
S9120 Scutellarein.cdx
csChFnd80/09261916562D

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>  <CAS> (767)
529-53-3

$$$$
S9127 Carnosol.cdx
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>  <Cat> (768)
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>  <Name> (768)
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>  <Form> (768)
free base

>  <CAS> (768)
5957-80-2

$$$$
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$$$$
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>  <CAS> (770)
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$$$$
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M  END
>  <Mol_ID> (771)
822

>  <Formula> (771)
C45H73NO15

>  <MolWeight> (771)
868.05882

>  <Cat> (771)
S9145

>  <Name> (771)
Solamargine

>  <Form> (771)
free base

>  <CAS> (771)
20311-51-7

$$$$
S9152 Epiberberine.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (772)
823

>  <Formula> (772)
C20H18NO4+

>  <MolWeight> (772)
336.36122

>  <Cat> (772)
S9152

>  <Name> (772)
Epiberberine

>  <Form> (772)
free base

>  <CAS> (772)
1816598

$$$$
S9162 Rubimaillin.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (773)
824

>  <Formula> (773)
C17H16O4

>  <MolWeight> (773)
284.30654

>  <Cat> (773)
S9162

>  <Name> (773)
Rubimaillin

>  <CAS> (773)
55481-88-4

$$$$
S9207 Gypenoside XVII.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (774)
825

>  <Formula> (774)
C48H82O18

>  <MolWeight> (774)
947.15388

>  <Cat> (774)
S9207

>  <Name> (774)
Gypenoside XVII

>  <Form> (774)
free base

>  <CAS> (774)
80321-69-3

$$$$
S9264 Decursin.cdx
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (775)
826

>  <Formula> (775)
C19H20O5

>  <MolWeight> (775)
328.3591

>  <Cat> (775)
S9264

>  <Name> (775)
Decursin

>  <Form> (775)
free base

>  <CAS> (775)
5928-25-6

$$$$
S9306 Corynoxeine.cdx
csChFnd80/09261916562D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (776)
827

>  <Formula> (776)
C22H26N2O4

>  <MolWeight> (776)
382.45284

>  <Cat> (776)
S9306

>  <Name> (776)
Corynoxeine

>  <Form> (776)
free base

>  <CAS> (776)
630-94-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/09261916562D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11  2  2  0  0  0  0
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 14  3  1  0  0  0  0
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 13  6  1  0  0  0  0
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (777)
828

>  <Formula> (777)
C15H20O2

>  <MolWeight> (777)
232.3181

>  <Cat> (777)
S9314

>  <Name> (777)
Atractylenolide II

>  <Form> (777)
free base

>  <CAS> (777)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/09261916562D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (778)
829

>  <Formula> (778)
C21H22O7

>  <MolWeight> (778)
386.39518

>  <Cat> (778)
S9315

>  <Name> (778)
Praeruptorin A

>  <Form> (778)
free base

>  <CAS> (778)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/09261916562D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (779)
830

>  <Formula> (779)
C9H6O3

>  <MolWeight> (779)
162.14214

>  <Cat> (779)
S5548

>  <Name> (779)
7-Hydroxy-4-chromone

>  <Target> (779)
Src

>  <Form> (779)
free base

>  <CAS> (779)
59887-89-7

>  <URL> (779)
http://selleckchem.com/products/.html

$$$$
S9041 Corosolic acid.cdx
csChFnd80/09261916562D

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 16  3  1  0  0  0  0
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 17  4  1  0  0  0  0
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 14  5  1  0  0  0  0
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 19  6  1  0  0  0  0
 21  6  1  0  0  0  0
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 31  9  1  0  0  0  0
 32  9  1  0  0  0  0
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M  END
>  <Mol_ID> (780)
831

>  <Formula> (780)
C30H48O4

>  <MolWeight> (780)
472.69972

>  <Cat> (780)
S9041

>  <Name> (780)
Corosolic acid

>  <Form> (780)
free base

>  <CAS> (780)
4547-24-4

$$$$
S9042 Wedelolactone.cdx
csChFnd80/09261916562D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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 12  7  1  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (781)
832

>  <Formula> (781)
C16H10O7

>  <MolWeight> (781)
314.2464

>  <Cat> (781)
S9042

>  <Name> (781)
Wedelolactone

>  <Form> (781)
free base

>  <CAS> (781)
524-12-9

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/09261916562D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (782)
833

>  <Formula> (782)
C15H8O4

>  <MolWeight> (782)
252.22162

>  <Cat> (782)
S9359

>  <Name> (782)
Anthraquinone-2-carboxylic Acid

>  <Form> (782)
free base

>  <CAS> (782)
117-78-2

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/09261916562D

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (783)
834

>  <Formula> (783)
C43H44ClFN4O11S3

>  <MolWeight> (783)
943.4760632

>  <Cat> (783)
S5241

>  <Name> (783)
Lapatinib ditosylate monohydrate

>  <Synonyms> (783)
Tykerb Ditosylate

>  <Target> (783)
Others

>  <Form> (783)
ditosylate monohydrate

>  <CAS> (783)
388082-78-8

>  <URL> (783)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/09261916562D

 34 36  0  0  0  0  0  0  0  0999 V2000
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Dasatinib hydrochloride

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BMS 354825 hydrochloride

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Abl/Src

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hydrochloride 

>  <CAS> (784)
854001-07-3

>  <URL> (784)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
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free base

>  <CAS> (785)
1231929-97-7 

>  <URL> (785)
http://selleckchem.com/products/abemaciclib.html

$$$$
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VEGFRs

>  <CAS> (786)
1194506-26-7

>  <URL> (786)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

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 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
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 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
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 21 22  2  0  0  0  0
 22  9  1  0  0  0  0
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 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> (787)
839

>  <Formula> (787)
C29H37N7O5S

>  <MolWeight> (787)
595.71298

>  <Cat> (787)
S5078

>  <Name> (787)
Osimertinib mesylate

>  <Synonyms> (787)
AZD9291 mesylate

>  <Target> (787)
EGFR

>  <Form> (787)
mesylate

>  <CAS> (787)
1421373-66-1

>  <URL> (787)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/09261916562D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  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
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 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (788)
840

>  <Formula> (788)
C16H21Cl2N3

>  <MolWeight> (788)
326.26404

>  <Cat> (788)
S5670

>  <Name> (788)
Chloropyramine hydrochloride

>  <Synonyms> (788)
Halopyramine hydrochloride

>  <Target> (788)
Histamine Receptor

>  <Form> (788)
hydrochloride

>  <CAS> (788)
6170-42-9

>  <URL> (788)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 10 11  2  0  0  0  0
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 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
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 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (789)
842

>  <Formula> (789)
C22H21ClN2O3

>  <MolWeight> (789)
396.86674

>  <Cat> (789)
S5792

>  <Name> (789)
CID 2011756

>  <Synonyms> (789)
N/A

>  <Target> (789)
Serine/threonin kina

>  <Form> (789)
Free Base

>  <CAS> (789)
638156-11-3

>  <URL> (789)
http://www.selleckchem.com/products/cid-2011756.html

$$$$

csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 15  1  2  0  0  0  0
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 19  2  1  0  0  0  0
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 14  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
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 12  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 14  8  1  0  0  0  0
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 18 10  1  0  0  0  0
 11 17  1  0  0  0  0
 17 12  2  0  0  0  0
 13 23  2  0  0  0  0
 16 25  2  0  0  0  0
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 28 19  2  0  0  0  0
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M  END
>  <Mol_ID> (790)
843

>  <Formula> (790)
C22H23N5O

>  <MolWeight> (790)
373.45092

>  <Cat> (790)
S5793

>  <Name> (790)
Motesanib (AMG-706)

>  <Synonyms> (790)
N/A

>  <Target> (790)
VEGFR

>  <Form> (790)
Free Base

>  <CAS> (790)
453562-69-1

>  <URL> (790)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/09261916562D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (791)
844

>  <Formula> (791)
C21H16FN7O

>  <MolWeight> (791)
401.3964432

>  <Cat> (791)
S5818

>  <Name> (791)
acalisib (GS-9820)

>  <Synonyms> (791)
CAL-120

>  <Target> (791)
PI3K

>  <Form> (791)
Free Base

>  <CAS> (791)
870281-34-8

>  <URL> (791)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/09261916562D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    2.4201    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8330    4.1949    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    5.5854    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (792)
845

>  <Formula> (792)
C6H6Br6

>  <MolWeight> (792)
557.53584

>  <Cat> (792)
S5902

>  <Name> (792)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (792)
NSC7908

>  <Target> (792)
JAK

>  <Form> (792)
Free Base

>  <CAS> (792)
1837-91-8

>  <URL> (792)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (793)
846

>  <Formula> (793)
C16H15N3O3

>  <MolWeight> (793)
297.3086

>  <Cat> (793)
S5903

>  <Name> (793)
JANEX-1

>  <Synonyms> (793)
WHI-P131

>  <Target> (793)
JAK

>  <Form> (793)
Free Base

>  <CAS> (793)
202475-60-3

>  <URL> (793)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9361    6.9985    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
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (794)
847

>  <Formula> (794)
C16H13Br2N3O3

>  <MolWeight> (794)
455.10072

>  <Cat> (794)
S5904

>  <Name> (794)
WHI-P97

>  <Synonyms> (794)
N/A

>  <Target> (794)
JAK

>  <Form> (794)
Free Base

>  <CAS> (794)
211555-05-4

>  <URL> (794)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/09261916562D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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 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
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 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
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 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
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 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (795)
848

>  <Formula> (795)
C22H23N5O2

>  <MolWeight> (795)
389.45032

>  <Cat> (795)
S5917

>  <Name> (795)
Solcitinib

>  <Synonyms> (795)
GLPG0778, GSK2586184

>  <Target> (795)
JAK

>  <Form> (795)
Free Base

>  <CAS> (795)
1206163-45-2

>  <URL> (795)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/09261916562D

 38 43  0  0  0  0  0  0  0  0999 V2000
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    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  7 28  1  0  0  0  0
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 29  7  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> (796)
849

>  <Formula> (796)
C25H21F3N6O3S

>  <MolWeight> (796)
542.5328496

>  <Cat> (796)
S7965

>  <Name> (796)
PLX8394

>  <Synonyms> (796)
N/A

>  <Target> (796)
Raf

>  <Form> (796)
Free Base

>  <CAS> (796)
1393466-87-9

>  <URL> (796)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/09261916562D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  5 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 20 15  1  0  0  0  0
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M  END
>  <Mol_ID> (797)
850

>  <Formula> (797)
C16H20BrN5O

>  <MolWeight> (797)
378.2669

>  <Cat> (797)
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>  <Synonyms> (797)
N/A

>  <Target> (797)
Chk

>  <Form> (797)
Free Base

>  <CAS> (797)
1196541-47-5

>  <URL> (797)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/09261916562D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (798)
851

>  <Formula> (798)
C24H28N4O3

>  <MolWeight> (798)
420.50412

>  <Cat> (798)
S8556

>  <Name> (798)
AZ31

>  <Synonyms> (798)
N/A

>  <Target> (798)
ATM/ATR

>  <Form> (798)
Free Base

>  <CAS> (798)
2088113-98-6

>  <URL> (798)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/09261916562D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (799)
852

>  <Formula> (799)
C23H14ClF3N6O

>  <MolWeight> (799)
482.8450696

>  <Cat> (799)
S8560

>  <Name> (799)
Seletalisib (UCB-5857)

>  <Synonyms> (799)
N/A

>  <Target> (799)
PI3K

>  <Form> (799)
Free Base

>  <CAS> (799)
1362850-20-1

>  <URL> (799)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/09261916562D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (800)
853

>  <Formula> (800)
C29H29FN4O

>  <MolWeight> (800)
468.5651632

>  <Cat> (800)
S8609

>  <Name> (800)
Derazantinib(ARQ-087)

>  <Synonyms> (800)
N/A

>  <Target> (800)
FGFR

>  <Form> (800)
Free Base

>  <CAS> (800)
1234356-69-4

>  <URL> (800)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/09261916562D

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    5.5584    5.5552    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5988    4.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    5.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5201    6.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278    6.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4278    8.0466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0902    4.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (801)
854

>  <Formula> (801)
C13H12ClN3O2

>  <MolWeight> (801)
277.70628

>  <Cat> (801)
S8641

>  <Name> (801)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (801)
Necrostatin-1 stable

>  <Target> (801)
TNF-alpha

>  <Form> (801)
Free Base

>  <CAS> (801)
852391-15-2

>  <URL> (801)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/09261916562D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (802)
855

>  <Formula> (802)
C24H18ClN3O3

>  <MolWeight> (802)
431.87102

>  <Cat> (802)
S8654

>  <Name> (802)
ex229 (compound 991)

>  <Synonyms> (802)
N/A

>  <Target> (802)
AMPK

>  <Form> (802)
Free Base

>  <CAS> (802)
1219739-36-2

>  <URL> (802)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/09261916562D

 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
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 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
    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4932   10.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    8.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (803)
856

>  <Formula> (803)
C24H23FN8O2

>  <MolWeight> (803)
474.4902232

>  <Cat> (803)
S8679

>  <Name> (803)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (803)
N/A

>  <Target> (803)
BTK

>  <Form> (803)
Free Base

>  <CAS> (803)
2230724-66-8

>  <URL> (803)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/09261916562D

 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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    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> (804)
857

>  <Formula> (804)
C14H11ClN4S2

>  <MolWeight> (804)
334.84694

>  <Cat> (804)
S8700

>  <Name> (804)
TP0427736 HCl

>  <Synonyms> (804)
N/A

>  <Target> (804)
ALK

>  <Form> (804)
hydrochloride

>  <CAS> (804)
864374-00-5

>  <URL> (804)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/09261916562D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    3.6849    1.4000    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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 11 16  1  0  0  0  0
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 19 20  2  0  0  0  0
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 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
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  7 29  1  0  0  0  0
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 25 32  1  0  0  0  0
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M  END
>  <Mol_ID> (805)
858

>  <Formula> (805)
C28H30FN3O4

>  <MolWeight> (805)
491.5539032

>  <Cat> (805)
S8723

>  <Name> (805)
ABBV-744

>  <Synonyms> (805)
N/A

>  <Target> (805)
Epigenetic Reader Do

>  <Form> (805)
Free Base

>  <CAS> (805)
2138861-99-9

>  <URL> (805)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/09261916562D

 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
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 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> (806)
859

>  <Formula> (806)
C18H18FN5O2S

>  <MolWeight> (806)
387.4312232

>  <Cat> (806)
S8727

>  <Name> (806)
Atuveciclib (BAY-1143572)

>  <Synonyms> (806)
N/A

>  <Target> (806)
CDK

>  <Form> (806)
Free Base

>  <CAS> (806)
1414943-88-6

>  <URL> (806)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/09261916562D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  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
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 21 16  1  0  0  0  0
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M  END
>  <Mol_ID> (807)
860

>  <Formula> (807)
C20H16N4O

>  <MolWeight> (807)
328.36724

>  <Cat> (807)
S8729

>  <Name> (807)
AZ32

>  <Synonyms> (807)
N/A

>  <Target> (807)
ATM/ATR

>  <Form> (807)
Free Base

>  <CAS> (807)
No CAS

>  <URL> (807)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/09261916562D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 19  7  1  0  0  0  0
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (808)
861

>  <Formula> (808)
C17H20F3N7O2

>  <MolWeight> (808)
411.3816096

>  <Cat> (808)
S8738

>  <Name> (808)
Bimiralisib (PQR309)

>  <Synonyms> (808)
N/A

>  <Target> (808)
PI3K

>  <Form> (808)
Free Base

>  <CAS> (808)
1225037-39-7

>  <URL> (808)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/09261916562D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (809)
862

>  <Formula> (809)
C26H26FN7O2

>  <MolWeight> (809)
487.5287432

>  <Cat> (809)
S8741

>  <Name> (809)
Avitinib (AC0010)

>  <Synonyms> (809)
N/A

>  <Target> (809)
EGFR

>  <Form> (809)
Free Base

>  <CAS> (809)
1557267-42-1

>  <URL> (809)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (810)
863

>  <Formula> (810)
C25H25F3N4O4

>  <MolWeight> (810)
502.4856096

>  <Cat> (810)
S8745

>  <Name> (810)
LXH254

>  <Synonyms> (810)
N/A

>  <Target> (810)
Raf

>  <Form> (810)
Free Base

>  <CAS> (810)
1800398-38-2

>  <URL> (810)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (811)
864

>  <Formula> (811)
C21H25F3N6O2

>  <MolWeight> (811)
450.4574096

>  <Cat> (811)
S8752

>  <Name> (811)
leniolisib(CDZ 173)

>  <Synonyms> (811)
N/A

>  <Target> (811)
PI3K

>  <Form> (811)
Free Base

>  <CAS> (811)
1354690-24-6

>  <URL> (811)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (812)
865

>  <Formula> (812)
C19H15N3O6S

>  <MolWeight> (812)
413.4039

>  <Cat> (812)
S8754

>  <Name> (812)
Alofanib(RPT835)

>  <Synonyms> (812)
N/A

>  <Target> (812)
FGFR

>  <Form> (812)
Free Base

>  <CAS> (812)
1612888-66-0

>  <URL> (812)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (813)
866

>  <Formula> (813)
C24H21BrFN5O2

>  <MolWeight> (813)
510.3582432

>  <Cat> (813)
S8757

>  <Name> (813)
Ripretinib (DCC-2618)

>  <Synonyms> (813)
N/A

>  <Target> (813)
c-Kit

>  <Form> (813)
Free Base

>  <CAS> (813)
1442472-39-0

>  <URL> (813)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (814)
867

>  <Formula> (814)
C26H23FN8O

>  <MolWeight> (814)
482.5122232

>  <Cat> (814)
S8764

>  <Name> (814)
IITZ-01

>  <Synonyms> (814)
N/A

>  <Target> (814)
Autophagy

>  <Form> (814)
Free Base

>  <CAS> (814)
1807988-47-1

>  <URL> (814)
http://www.selleckchem.com/products/iitz-01.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (815)
868

>  <Formula> (815)
C24H24N4O

>  <MolWeight> (815)
384.47356

>  <Cat> (815)
S8775

>  <Name> (815)
HS-1371

>  <Synonyms> (815)
N/A

>  <Target> (815)
Serine/threonin kina

>  <Form> (815)
Free Base

>  <CAS> (815)
2158197-70-5

>  <URL> (815)
http://www.selleckchem.com/products/hs-1371.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (816)
869

>  <Formula> (816)
C25H27N5O2

>  <MolWeight> (816)
429.51418

>  <Cat> (816)
S8777

>  <Name> (816)
Evobrutinib

>  <Synonyms> (816)
M-2951, MSC-2364447C

>  <Target> (816)
BTK

>  <Form> (816)
Free Base

>  <CAS> (816)
1415823-73-2

>  <URL> (816)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (817)
870

>  <Formula> (817)
C22H21F3N6O2

>  <MolWeight> (817)
458.4363496

>  <Cat> (817)
S8801

>  <Name> (817)
CC-90003

>  <Synonyms> (817)
N/A

>  <Target> (817)
ERK

>  <Form> (817)
Free Base

>  <CAS> (817)
1621999-82-3

>  <URL> (817)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/09261916562D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (818)
871

>  <Formula> (818)
C27H19ClN2O3

>  <MolWeight> (818)
454.90436

>  <Cat> (818)
S8803

>  <Name> (818)
MK-3903

>  <Synonyms> (818)
N/A

>  <Target> (818)
AMPK

>  <Form> (818)
Free Base

>  <CAS> (818)
1219737-12-8

>  <URL> (818)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/09261916562D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (819)
872

>  <Formula> (819)
C28H32O16

>  <MolWeight> (819)
624.54408

>  <Cat> (819)
S9455

>  <Name> (819)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (819)
N/A

>  <Target> (819)
Others

>  <Form> (819)
Free Base

>  <CAS> (819)
55033-90-4

>  <URL> (819)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/09261916562D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (820)
873

>  <Formula> (820)
C7H9N5

>  <MolWeight> (820)
163.17986

>  <Cat> (820)
S6088

>  <Name> (820)
6-(Dimethylamino)purine

>  <Synonyms> (820)
N,N-Dimethyladenine

>  <Target> (820)
Serine/threonin kina

>  <Form> (820)
free base

>  <CAS> (820)
938-55-6

>  <URL> (820)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/09261916562D

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M  END
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874

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C25H23FN8O2S2

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550.6309232

>  <Cat> (821)
S7564

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SAR125844

>  <Synonyms> (821)
N/A

>  <Target> (821)
c-Met

>  <Form> (821)
free base

>  <CAS> (821)
1116743-46-4

>  <URL> (821)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (822)
875

>  <Formula> (822)
C25H26N6O2

>  <MolWeight> (822)
442.51294

>  <Cat> (822)
S8584

>  <Name> (822)
Theliatinib (HMPL-309)

>  <Synonyms> (822)
N/A

>  <Target> (822)
EGFR

>  <Form> (822)
free base

>  <CAS> (822)
1353644-70-8

>  <URL> (822)
http://www.selleck.cn/products/theliatinib-hmpl-309.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (823)
877

>  <Formula> (823)
C14H21N5O2S

>  <MolWeight> (823)
323.41384

>  <Cat> (823)
S8765

>  <Name> (823)
PF-04965842

>  <Synonyms> (823)
N/A

>  <Target> (823)
JAK

>  <Form> (823)
free base

>  <CAS> (823)
1622902-68-4

>  <URL> (823)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/09261916562D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (824)
878

>  <Formula> (824)
C24H26FN7O3

>  <MolWeight> (824)
479.5067432

>  <Cat> (824)
S8780

>  <Name> (824)
AZD3229

>  <Synonyms> (824)
N/A

>  <Target> (824)
c-Kit

>  <Form> (824)
free base

>  <CAS> (824)
2248003-60-1

>  <URL> (824)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/09261916562D

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>  <Mol_ID> (825)
880

>  <Formula> (825)
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>  <MolWeight> (825)
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>  <Cat> (825)
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>  <Name> (825)
PFK158

>  <Synonyms> (825)
N/A

>  <Target> (825)
Autophagy

>  <Form> (825)
free base

>  <CAS> (825)
1462249-75-7

>  <URL> (825)
http://www.selleck.cn/products/pfk158.html

$$$$

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881

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507.5069696

>  <Cat> (826)
S8810

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SPHINX31

>  <Synonyms> (826)
N/A

>  <Target> (826)
Serine/threonin kina

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free base

>  <CAS> (826)
1818389-84-2

>  <URL> (826)
http://www.selleck.cn/products/sphinx31.html

$$$$

csChFnd80/09261916562D

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M  END
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882

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C21H19ClNO4+

>  <MolWeight> (827)
384.83286

>  <Cat> (827)
S1292

>  <Name> (827)
Chelerythrine Chloride

>  <Synonyms> (827)
N/A

>  <Target> (827)
PKC

>  <Form> (827)
Chloride

>  <CAS> (827)
3895-92-9

>  <URL> (827)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/09261916562D

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883

>  <Formula> (828)
C26H31Cl2N7O3

>  <MolWeight> (828)
560.47544

>  <Cat> (828)
S2183

>  <Name> (828)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (828)
N/A

>  <Target> (828)
FGFR

>  <Form> (828)
Free Base

>  <CAS> (828)
872511-34-7

>  <URL> (828)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/09261916562D

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M  END
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884

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C18H21F2N7O

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389.4024464

>  <Cat> (829)
S8804

>  <Name> (829)
PF-06700841

>  <Synonyms> (829)
PF-841

>  <Target> (829)
JAK

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Free Base

>  <CAS> (829)
1883299-62-4

>  <URL> (829)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/09261916562D

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N/A

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EGFR

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1899921-05-1

>  <URL> (830)
http://www.selleck.cn/products/hs-10296.html

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csChFnd80/09261916562D

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N/A

>  <Target> (831)
c-RET

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Free Base

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1627856-64-7

>  <URL> (831)
http://www.selleck.cn/products/gsk3179106.html

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N/A

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CDK

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Free Base

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1609522-33-9

>  <URL> (832)
http://www.selleck.cn/products/sel120.html

$$$$

csChFnd80/09261916562D

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C19H17N3O

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NF-¦ÊB

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518-17-2

>  <URL> (833)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

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541550-19-0

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947303-87-9

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193620-69-8

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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (838)
894

>  <Formula> (838)
C29H39ClN7O2P

>  <MolWeight> (838)
584.092421

>  <Cat> (838)
S8229

>  <Name> (838)
Brigatinib (AP26113)

>  <Synonyms> (838)
N/A

>  <Target> (838)
ALK

>  <Form> (838)
Free Base

>  <CAS> (838)
1197953-54-0

>  <URL> (838)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/09261916562D

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M  END
>  <Mol_ID> (839)
895

>  <Formula> (839)
C19H18N4O3

>  <MolWeight> (839)
350.37122

>  <Cat> (839)
S8684

>  <Name> (839)
Selective JAK3 inhibitor 1

>  <Synonyms> (839)
N/A

>  <Target> (839)
JAK

>  <Form> (839)
Free Base

>  <CAS> (839)
1443235-95-7

>  <URL> (839)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/09261916562D

 32 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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  7 19  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> (840)
896

>  <Formula> (840)
C23H20FN7O

>  <MolWeight> (840)
429.4496032

>  <Cat> (840)
S8693

>  <Name> (840)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (840)
N/A

>  <Target> (840)
PI3K

>  <Form> (840)
Free Base

>  <CAS> (840)
2088525-31-7

>  <URL> (840)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/09261916562D

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ERK

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1184173-73-6

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http://www.selleck.cn/products/mk-8353-sch900353.html

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>  <MolWeight> (842)
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INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (842)
N/A

>  <Target> (842)
Epigenetic Reader Do

>  <Form> (842)
Free Base

>  <CAS> (842)
1628607-64-6

>  <URL> (842)
http://www.selleck.cn/products/incb054329.html

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CH7057288

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N/A

>  <Target> (843)
Trk receptor

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Free Base

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2095616-82-1

>  <URL> (843)
http://www.selleck.cn/products/ch7057288.html

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>  <Cat> (844)
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>  <Name> (844)
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>  <Synonyms> (844)
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>  <Target> (844)
BTK

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1691249-45-2

>  <URL> (844)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

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   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> (845)
901

>  <Formula> (845)
C22H16F4N4OS

>  <MolWeight> (845)
460.4472528

>  <Cat> (845)
S8793

>  <Name> (845)
ULK-101

>  <Synonyms> (845)
N/A

>  <Target> (845)
Autophagy

>  <Form> (845)
Free Base

>  <CAS> (845)
no cas

>  <URL> (845)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
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 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (846)
902

>  <Formula> (846)
C14H14ClFN8

>  <MolWeight> (846)
348.7659632

>  <Cat> (846)
S2162

>  <Name> (846)
AZD1480

>  <Synonyms> (846)
N/A

>  <Target> (846)
JAK

>  <Form> (846)
free base

>  <CAS> (846)
935666-88-9

>  <URL> (846)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/09261916562D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   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
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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
  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 20 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
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
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 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> (847)
903

>  <Formula> (847)
C26H21F3N4O4

>  <MolWeight> (847)
510.4645496

>  <Cat> (847)
S6412

>  <Name> (847)
Altiratinib

>  <Synonyms> (847)
DCC-2701

>  <Target> (847)
Trk receptor

>  <Form> (847)
free base

>  <CAS> (847)
1345847-93-9

>  <URL> (847)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/09261916562D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (848)
904

>  <Formula> (848)
C13H13NO3S

>  <MolWeight> (848)
263.31222

>  <Cat> (848)
S6497

>  <Name> (848)
SMI-16a

>  <Synonyms> (848)
N/A

>  <Target> (848)
Pim

>  <Form> (848)
free base

>  <CAS> (848)
587852-28-6

>  <URL> (848)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/09261916562D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   16.7650    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.2525    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9152    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5 15  2  0  0  0  0
  6 24  2  0  0  0  0
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  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 27  2  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 19  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 14 23  1  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  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  1  0  0  0  0
M  END
>  <Mol_ID> (849)
905

>  <Formula> (849)
C19H14F3N3O3

>  <MolWeight> (849)
389.3279696

>  <Cat> (849)
S6498

>  <Name> (849)
T56-LIMKi

>  <Synonyms> (849)
N/A

>  <Target> (849)
Others

>  <Form> (849)
free base

>  <CAS> (849)
924473-59-6

>  <URL> (849)
http://www.selleck.cn/products/t56-limki.html

$$$$

csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Serine/threonin kina

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free base

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1811510-56-1

>  <URL> (850)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/09261916562D

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M  END
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907

>  <Formula> (851)
C16H13FN2O2

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S6500

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>  <Synonyms> (851)
N/A

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Src

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free base

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518058-84-9

>  <URL> (851)
http://www.selleck.cn/products/kx1-004.html

$$$$

csChFnd80/09261916562D

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 16  6  1  0  0  0  0
 20  5  1  0  0  0  0
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 22  1  1  0  0  0  0
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908

>  <Formula> (852)
C25H25N3O2S

>  <MolWeight> (852)
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>  <Cat> (852)
S6501

>  <Name> (852)
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>  <Synonyms> (852)
N/A

>  <Target> (852)
Others

>  <Form> (852)
free base

>  <CAS> (852)
362003-83-6

>  <URL> (852)
http://www.selleck.cn/products/nvp-231.html

$$$$

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>  <Formula> (853)
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>  <MolWeight> (853)
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>  <Cat> (853)
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>  <Name> (853)
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>  <Synonyms> (853)
N/A

>  <Target> (853)
p38 MAPK

>  <Form> (853)
free base

>  <CAS> (853)
271576-80-8

>  <URL> (853)
http://www.selleck.cn/products/sd-0006.html

$$$$

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 19 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 14 24  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (854)
910

>  <Formula> (854)
C22H19ClN2O6S

>  <MolWeight> (854)
474.91406

>  <Cat> (854)
S6503

>  <Name> (854)
LX2343

>  <Synonyms> (854)
N/A

>  <Target> (854)
BACE

>  <Form> (854)
free base

>  <CAS> (854)
333745-53-2

>  <URL> (854)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2361    3.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    3.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1576    5.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    1.4000    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
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  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
  5 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  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
 16 20  1  0  0  0  0
 14 17  1  0  0  0  0
  7 14  2  0  0  0  0
  6 21  2  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (855)
911

>  <Formula> (855)
C15H14N4O2

>  <MolWeight> (855)
282.29726

>  <Cat> (855)
S6504

>  <Name> (855)
BX517

>  <Synonyms> (855)
N/A

>  <Target> (855)
PDK

>  <Form> (855)
free base

>  <CAS> (855)
850717-64-5

>  <URL> (855)
http://www.selleck.cn/products/bx517.html

$$$$

csChFnd80/09261916562D

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.6993    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6108    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0997    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.8998    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 18  1  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  6  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 28 33  2  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 29 36  1  0  0  0  0
 26 28  1  0  0  0  0
  3 25  1  0  0  0  0
  4 37  1  0  0  0  0
M  END
>  <Mol_ID> (856)
912

>  <Formula> (856)
C25H25Cl2FN6O3

>  <MolWeight> (856)
547.4088032

>  <Cat> (856)
S6505

>  <Name> (856)
X-376

>  <Synonyms> (856)
N/A

>  <Target> (856)
ALK

>  <Form> (856)
free base

>  <CAS> (856)
1365267-27-1

>  <URL> (856)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/09261916562D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   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
    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
    2.4249    4.9000    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
    7.2746    2.1000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    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
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    8.4870    0.0000    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
    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 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
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 16  2  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (857)
913

>  <Formula> (857)
C16H15N3O2

>  <MolWeight> (857)
281.3092

>  <Cat> (857)
S6506

>  <Name> (857)
Compound 401

>  <Synonyms> (857)
N/A

>  <Target> (857)
DNA-PK

>  <Form> (857)
free base

>  <CAS> (857)
168425-64-7

>  <URL> (857)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/09261916562D

 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
    3.1249    4.0124    0.0000 O   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> (858)
914

>  <Formula> (858)
C24H28ClN2O7PS

>  <MolWeight> (858)
554.980081

>  <Cat> (858)
S6507

>  <Name> (858)
KN-92 phosphate

>  <Synonyms> (858)
N/A

>  <Target> (858)
Others

>  <Form> (858)
phosphate

>  <CAS> (858)
1135280-28-2

>  <URL> (858)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/09261916562D

 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
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   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
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   11.0995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  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> (859)
915

>  <Formula> (859)
C24H26N4O3S

>  <MolWeight> (859)
450.55324

>  <Cat> (859)
S6508

>  <Name> (859)
Mitapivat

>  <Synonyms> (859)
AG-348

>  <Target> (859)
PKM

>  <Form> (859)
free base

>  <CAS> (859)
1260075-17-9

>  <URL> (859)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/09261916562D

 22 22  0  0  0  0  0  0  0  0999 V2000
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   10.0012    0.7021    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
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  2  5  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  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
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (860)
917

>  <Formula> (860)
C14H19Cl2N3O2S

>  <MolWeight> (860)
364.29056

>  <Cat> (860)
S6510

>  <Name> (860)
Iso-H7 dihydrochloride

>  <Synonyms> (860)
N/A

>  <Target> (860)
Phosphorylase

>  <Form> (860)
dihydrochloride

>  <CAS> (860)
140663-38-3

>  <URL> (860)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/09261916562D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    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
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    6.9224    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  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
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (861)
918

>  <Formula> (861)
C13H19NO2

>  <MolWeight> (861)
221.29546

>  <Cat> (861)
S6511

>  <Name> (861)
RIPA-56

>  <Synonyms> (861)
N/A

>  <Target> (861)
TNF-alpha

>  <Form> (861)
free base

>  <CAS> (861)
1956370-21-0

>  <URL> (861)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/09261916562D

 21 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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   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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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  2  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (862)
919

>  <Formula> (862)
C16H23NO4

>  <MolWeight> (862)
293.35812

>  <Cat> (862)
S6512

>  <Name> (862)
MHP

>  <Synonyms> (862)
N/A

>  <Target> (862)
S1P Receptor

>  <Form> (862)
free base

>  <CAS> (862)
1104874-94-3

>  <URL> (862)
http://www.selleck.cn/products/defensamide.html

$$$$

csChFnd80/09261916562D

 38 43  0  0  0  0  0  0  0  0999 V2000
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   13.2864    3.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 23  1  0  0  0  0
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  8 26  2  0  0  0  0
  8 34  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
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 28 29  1  0  0  0  0
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 30 35  2  0  0  0  0
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 33 34  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
>  <Mol_ID> (863)
920

>  <Formula> (863)
C29H34ClN7O

>  <MolWeight> (863)
532.07956

>  <Cat> (863)
S6513

>  <Name> (863)
HG-14-10-04

>  <Synonyms> (863)
N/A

>  <Target> (863)
ALK

>  <Form> (863)
free base

>  <CAS> (863)
1356962-34-9

>  <URL> (863)
http://www.selleck.cn/products/hg-14-10-04.html

$$$$

csChFnd80/09261916562D

 34 38  0  0  0  0  0  0  0  0999 V2000
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195371-52-9

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959551-10-1

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199986-75-9

>  <URL> (871)
http://www.selleck.cn/products/cvt-313.html

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1952236-05-3

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http://www.selleck.cn/products/mtx-211.html

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csChFnd80/09261916562D

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  8 12  1  0  0  0  0
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M  END
>  <Mol_ID> (874)
935

>  <Formula> (874)
C19H16BrFN6O2

>  <MolWeight> (874)
459.2717432

>  <Cat> (874)
S6543

>  <Name> (874)
ZD-4190

>  <Synonyms> (874)
N/A

>  <Target> (874)
VEGFR

>  <Form> (874)
free base

>  <CAS> (874)
413599-62-9

>  <URL> (874)
http://www.selleck.cn/products/zd-4190.html

$$$$

csChFnd80/09261916562D

 35 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (875)
936

>  <Formula> (875)
C23H19F3N8O

>  <MolWeight> (875)
480.4451696

>  <Cat> (875)
S6544

>  <Name> (875)
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>  <Synonyms> (875)
N/A

>  <Target> (875)
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free base

>  <CAS> (875)
1454585-06-8

>  <URL> (875)
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csChFnd80/09261916562D

 40 44  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (876)
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>  <Cat> (876)
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>  <Name> (876)
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>  <Synonyms> (876)
N/A

>  <Target> (876)
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>  <Form> (876)
free base

>  <CAS> (876)
1227948-02-8

>  <URL> (876)
http://www.selleck.cn/products/bi-4464.html

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csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    2.1002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5451    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5451    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3327    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    2.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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  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
 17 14  1  0  0  0  0
 18 17  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 18  2  0  0  0  0
  1 24  1  0  0  0  0
  2 26  1  0  0  0  0
 14 28  2  0  0  0  0
 28 13  1  0  0  0  0
M  END
>  <Mol_ID> (877)
938

>  <Formula> (877)
C22H19N3O3

>  <MolWeight> (877)
373.40456

>  <Cat> (877)
S6567

>  <Name> (877)
Src Inhibitor 1

>  <Synonyms> (877)
N/A

>  <Target> (877)
Src

>  <Form> (877)
free base

>  <CAS> (877)
179248-59-0

>  <URL> (877)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/09261916562D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (878)
939

>  <Formula> (878)
C19H20N4O3

>  <MolWeight> (878)
352.3871

>  <Cat> (878)
S6571

>  <Name> (878)
BQR695

>  <Synonyms> (878)
NVP-BQR695

>  <Target> (878)
PI4K

>  <Form> (878)
free base

>  <CAS> (878)
1513879-21-4

>  <URL> (878)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/09261916562D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9593    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3287    2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2654    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8327    4.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1442    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0251    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    8.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (879)
940

>  <Formula> (879)
C22H18ClN5O2

>  <MolWeight> (879)
419.86362

>  <Cat> (879)
S6574

>  <Name> (879)
KDU691

>  <Synonyms> (879)
N/A

>  <Target> (879)
PI4K

>  <Form> (879)
free base

>  <CAS> (879)
1513879-19-0

>  <URL> (879)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/09261916562D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    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    7.7000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (880)
941

>  <Formula> (880)
C20H25F3N6O3

>  <MolWeight> (880)
454.4461096

>  <Cat> (880)
S6577

>  <Name> (880)
PKC-theta inhibitor

>  <Synonyms> (880)
N/A

>  <Target> (880)
PKC

>  <Form> (880)
free base

>  <CAS> (880)
736048-65-0

>  <URL> (880)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3132    0.7282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    1.8609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    4.1978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168    4.1979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2335    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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N/A

>  <Target> (882)
c-Met

>  <Form> (882)
free base

>  <CAS> (882)
1642581-63-2

>  <URL> (882)
http://www.selleck.cn/products/glumetinib.html

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>  <Synonyms> (883)
N/A

>  <Target> (883)
c-Met

>  <Form> (883)
free base

>  <CAS> (883)
943540-74-7

>  <URL> (883)
http://www.selleck.cn/products/jnj-38877618.html

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>  <Formula> (884)
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2328073-61-4

>  <URL> (884)
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  1  2  2  0  0  0  0
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 25 20  1  0  0  0  0
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 34 26  1  0  0  0  0
 29 35  2  0  0  0  0
M  END
>  <Mol_ID> (885)
947

>  <Formula> (885)
C26H34N8O

>  <MolWeight> (885)
474.60116

>  <Cat> (885)
S8568

>  <Name> (885)
G1T38

>  <Synonyms> (885)
Lerociclib

>  <Target> (885)
CDK

>  <Form> (885)
free base

>  <CAS> (885)
1628256-23-4

>  <URL> (885)
http://www.selleck.cn/products/g1t38.html

$$$$
AY-20590
csChFnd80/09261916562D

 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  2  0  0  0  0
  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
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M  END
>  <Mol_ID> (886)
948

>  <Formula> (886)
C16H10N2O2

>  <MolWeight> (886)
262.2628

>  <Cat> (886)
P3252

>  <Name> (886)
AY-20590

>  <Synonyms> (886)
N/A

>  <Target> (886)
Mcl-1,Anti-infection,PDGFR

>  <Form> (886)
free base

>  <CAS> (886)
57490-73-0

>  <URL> (886)
N/A

$$$$
WAY-313218
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
 13 15  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (887)
949

>  <Formula> (887)
C19H20FNO

>  <MolWeight> (887)
297.3666032

>  <Cat> (887)
P3321

>  <Name> (887)
WAY-313218

>  <Synonyms> (887)
N/A

>  <Target> (887)
11¦Â-HSD1 

>  <Form> (887)
free base

>  <CAS> (887)
260428-69-1

>  <URL> (887)
N/A

$$$$
WAY-313013
csChFnd80/09261916562D

 16 17  0  0  0  0  0  0  0  0999 V2000
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   -2.8517   -0.9345    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (888)
950

>  <Formula> (888)
C12H14BrNO2

>  <MolWeight> (888)
284.14906

>  <Cat> (888)
P3319

>  <Name> (888)
WAY-313013

>  <Synonyms> (888)
N/A

>  <Target> (888)
p38,histamine-3 (H3) receptor

>  <Form> (888)
free base

>  <CAS> (888)
326898-76-4

>  <URL> (888)
N/A

$$$$
GI-560708
csChFnd80/09261916562D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  7 10  1  0  0  0  0
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 14 16  1  0  0  0  0
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  8 10  2  0  0  0  0
 15 17  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (889)
951

>  <Formula> (889)
C20H18N4O2

>  <MolWeight> (889)
346.38252

>  <Cat> (889)
P3258

>  <Name> (889)
GI-560708

>  <Synonyms> (889)
N/A

>  <Target> (889)
BCR-ABL 

>  <Form> (889)
free base

>  <CAS> (889)
2362-25-6

>  <URL> (889)
N/A

$$$$
WAY-311066
csChFnd80/09261916562D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0655    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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> (890)
953

>  <Formula> (890)
C21H17N3O3

>  <MolWeight> (890)
359.37798

>  <Cat> (890)
P3314

>  <Name> (890)
WAY-311066

>  <Synonyms> (890)
N/A

>  <Target> (890)
Casein kinase 1¦Ä

>  <Form> (890)
free base

>  <CAS> (890)
332074-85-8

>  <URL> (890)
N/A

$$$$
WAY-312567
csChFnd80/09261916562D

 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
   -1.3688    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0101    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -0.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5101    1.7274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899    1.0274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7481   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899   -0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    1.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9101    0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308   -2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9101    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -0.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519   -1.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6105   -0.5140    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  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> (891)
954

>  <Formula> (891)
C16H20N2O2S

>  <MolWeight> (891)
304.4072

>  <Cat> (891)
P3317

>  <Name> (891)
WAY-312567

>  <Synonyms> (891)
N/A

>  <Target> (891)
Anti-infection

>  <Form> (891)
free base

>  <CAS> (891)
330955-59-4

>  <URL> (891)
N/A

$$$$
WAY-312157
csChFnd80/09261916562D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.7172    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    0.5172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -2.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    4.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3345   -2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -2.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2828   -0.2000    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
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 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  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> (892)
955

>  <Formula> (892)
C14H18N2O2S

>  <MolWeight> (892)
278.36992

>  <Cat> (892)
P3316

>  <Name> (892)
WAY-312157

>  <Synonyms> (892)
N/A

>  <Target> (892)
ATP-utilizing enzyme

>  <Form> (892)
free base

>  <CAS> (892)
354544-70-0

>  <URL> (892)
N/A

$$$$
WAY-114228
csChFnd80/09261916562D

 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
    7.2833    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.8115    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0722    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    6.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5060    2.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1682    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9630    2.0673    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
   13.3790    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1682    4.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3733    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (893)
956

>  <Formula> (893)
C21H23NO

>  <MolWeight> (893)
305.41342

>  <Cat> (893)
P3264

>  <Name> (893)
WAY-114228

>  <Synonyms> (893)
N/A

>  <Target> (893)
MEK1

>  <Form> (893)
free base

>  <CAS> (893)
333325-96-5

>  <URL> (893)
N/A

$$$$
WAY-239320
csChFnd80/09261916562D

 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
    6.0556    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    4.1745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8430    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9675    5.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4177    5.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910    7.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7259    8.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2929    6.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    6.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0803    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1143    9.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6841    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  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 15  2  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 13  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 27  1  0  0  0  0
 26 16  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 23  1  0  0  0  0
  4  3  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (894)
957

>  <Formula> (894)
C22H21N3O4

>  <MolWeight> (894)
391.41984

>  <Cat> (894)
P3268

>  <Name> (894)
WAY-239320

>  <Synonyms> (894)
N/A

>  <Target> (894)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (894)
free base

>  <CAS> (894)
378775-98-5

>  <URL> (894)
N/A

$$$$
WAY-248134
csChFnd80/09261916562D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.7759   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0966   -1.4138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7655    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517   -1.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  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  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
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (895)
958

>  <Formula> (895)
C10H11N3OS

>  <MolWeight> (895)
221.27884

>  <Cat> (895)
P3270

>  <Name> (895)
WAY-248134

>  <Synonyms> (895)
N/A

>  <Target> (895)
LIMK1£¬IKK¦Â

>  <Form> (895)
free base

>  <CAS> (895)
67795-42-0

>  <URL> (895)
N/A

$$$$
WAY-296817
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.8414    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4000    1.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3586   -0.4034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8069   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0586   -0.1172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3000   -2.2345    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
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  4  8  1  0  0  0  0
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  7 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 14 16  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (896)
959

>  <Formula> (896)
C17H16N2O3S

>  <MolWeight> (896)
328.38554

>  <Cat> (896)
P3296

>  <Name> (896)
WAY-296817

>  <Synonyms> (896)
N/A

>  <Target> (896)
casein kinase 1

>  <Form> (896)
free base

>  <CAS> (896)
349438-74-0

>  <URL> (896)
N/A

$$$$
WAY-296818
csChFnd80/09261916562D

 22 24  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
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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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  6  9  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (897)
960

>  <Formula> (897)
C17H16N2O2S

>  <MolWeight> (897)
312.38614

>  <Cat> (897)
P3297

>  <Name> (897)
WAY-296818

>  <Synonyms> (897)
N/A

>  <Target> (897)
casein kinase 1

>  <Form> (897)
free base

>  <CAS> (897)
349438-77-3

>  <URL> (897)
N/A

$$$$
WAY-635764
csChFnd80/09261916562D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.0125   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 25  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  3  2  0  0  0  0
 15 17  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 24  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  2  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 26  2  0  0  0  0
 25 21  1  0  0  0  0
 26 16  1  0  0  0  0
 27  9  1  0  0  0  0
 28  9  1  0  0  0  0
 29 15  1  0  0  0  0
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 31 22  1  0  0  0  0
  5  4  1  0  0  0  0
 23  9  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (898)
1190

>  <Formula> (898)
C23H31N3O5

>  <MolWeight> (898)
429.50934

>  <Cat> (898)
P3487

>  <Name> (898)
WAY-635764

>  <Synonyms> (898)
N/A

>  <Target> (898)
Aurora kinase A

>  <Form> (898)
free base

>  <CAS> (898)
790267-88-8

>  <URL> (898)
N/A

$$$$
WAY-635767
csChFnd80/09261916562D

 17 19  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
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  3  5  1  0  0  0  0
 15 14  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (899)
1191

>  <Formula> (899)
C12H12ClN3O

>  <MolWeight> (899)
249.69618

>  <Cat> (899)
P3488

>  <Name> (899)
WAY-635767

>  <Synonyms> (899)
N/A

>  <Target> (899)
Aurora kinase A

>  <Form> (899)
free base

>  <CAS> (899)
790232-33-6

>  <URL> (899)
N/A

$$$$
WAY-654447
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
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  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> (900)
1192

>  <Formula> (900)
C16H14N4O2

>  <MolWeight> (900)
294.30796

>  <Cat> (900)
P3519

>  <Name> (900)
WAY-654447

>  <Synonyms> (900)
N/A

>  <Target> (900)
FLT3,Androgen Receptor

>  <Form> (900)
free base

>  <CAS> (900)
852304-07-5

>  <URL> (900)
N/A

$$$$
CL-16859
csChFnd80/09261916562D

 18 19  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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 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> (901)
1193

>  <Formula> (901)
C14H20N2O2

>  <MolWeight> (901)
248.3208

>  <Cat> (901)
P3254

>  <Name> (901)
CL-16859

>  <Synonyms> (901)
N/A

>  <Target> (901)
Anti-infection 

>  <Form> (901)
free base

>  <CAS> (901)
438025-86-6

>  <URL> (901)
N/A

$$$$
WAY-320706
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0542    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3542    0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (902)
1194

>  <Formula> (902)
C13H11ClN6OS2

>  <MolWeight> (902)
366.84904

>  <Cat> (902)
P3328

>  <Name> (902)
WAY-320706

>  <Synonyms> (902)
N/A

>  <Target> (902)
Anti-infection, ATOH-1

>  <Form> (902)
free base

>  <CAS> (902)
370092-42-5

>  <URL> (902)
N/A

$$$$
WAY-320774
csChFnd80/09261916562D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.9625    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1458    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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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  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 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
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  7  5  2  0  0  0  0
  6  9  2  0  0  0  0
 23 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (903)
1195

>  <Formula> (903)
C19H16N4O2S

>  <MolWeight> (903)
364.42094

>  <Cat> (903)
P3329

>  <Name> (903)
WAY-320774

>  <Synonyms> (903)
N/A

>  <Target> (903)
Kanamycin Resistance Enzyme Eis

>  <Form> (903)
free base

>  <CAS> (903)
425653-38-9

>  <URL> (903)
N/A

$$$$
WAY-320951
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    4.1591   -0.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591    1.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  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
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 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> (904)
1196

>  <Formula> (904)
C14H11N3O4S

>  <MolWeight> (904)
317.31984

>  <Cat> (904)
P3330

>  <Name> (904)
WAY-320951

>  <Synonyms> (904)
N/A

>  <Target> (904)
Anti-infection

>  <Form> (904)
free base

>  <CAS> (904)
430444-03-4

>  <URL> (904)
N/A

$$$$
WAY-321002
csChFnd80/09261916562D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    0.2655    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  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
 13 18  1  0  0  0  0
 15 19  2  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
 19 23  1  0  0  0  0
 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
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (905)
1197

>  <Formula> (905)
C20H16N4

>  <MolWeight> (905)
312.36784

>  <Cat> (905)
P3331

>  <Name> (905)
WAY-321002

>  <Synonyms> (905)
N/A

>  <Target> (905)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (905)
free base

>  <CAS> (905)
166039-38-9

>  <URL> (905)
N/A

$$$$
WAY-321364
csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1032   -0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3894   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0411   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (906)
1198

>  <Formula> (906)
C21H17N3O4

>  <MolWeight> (906)
375.37738

>  <Cat> (906)
P3332

>  <Name> (906)
WAY-321364

>  <Synonyms> (906)
N/A

>  <Target> (906)
casein kinase 2

>  <Form> (906)
free base

>  <CAS> (906)
385389-39-9

>  <URL> (906)
N/A

$$$$
WAY-321366
csChFnd80/09261916562D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7105    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416    1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312    1.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308   -1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0830    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1105    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4584   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8826   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6205   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6791   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4170    0.1172    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  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (907)
1199

>  <Formula> (907)
C20H14ClN3O3

>  <MolWeight> (907)
379.79646

>  <Cat> (907)
P3333

>  <Name> (907)
WAY-321366

>  <Synonyms> (907)
N/A

>  <Target> (907)
tyrosine kinase

>  <Form> (907)
free base

>  <CAS> (907)
370854-75-4

>  <URL> (907)
N/A

$$$$
WAY-321582-A
csChFnd80/09261916562D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.1897    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -0.1308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.7209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6793    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0690   -0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4517   -0.9895    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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 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  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (908)
1200

>  <Formula> (908)
C13H11N3O

>  <MolWeight> (908)
225.24594

>  <Cat> (908)
P3334

>  <Name> (908)
WAY-321582-A

>  <Synonyms> (908)
N/A

>  <Target> (908)
casein kinase 2

>  <Form> (908)
free base

>  <CAS> (908)
34116-16-0

>  <URL> (908)
N/A

$$$$
WAY-321873
csChFnd80/09261916562D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.2667    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.4042    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
   -2.2625   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    3.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0000    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4042    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667    5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10 20  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 26  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28 17  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  2  0  0  0  0
 31 29  2  0  0  0  0
 21 20  1  0  0  0  0
 25 23  2  0  0  0  0
  7  4  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (909)
1201

>  <Formula> (909)
C21H17N5O4S

>  <MolWeight> (909)
435.45578

>  <Cat> (909)
P3335

>  <Name> (909)
WAY-321873

>  <Synonyms> (909)
N/A

>  <Target> (909)
 GATA4-NKX2-5,AKT

>  <Form> (909)
free base

>  <CAS> (909)
547704-53-0

>  <URL> (909)
N/A

$$$$
WAY-321961
csChFnd80/09261916562D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.8875   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0042   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9542   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1875   -3.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 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
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
  6  4  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (910)
1202

>  <Formula> (910)
C12H11NO3

>  <MolWeight> (910)
217.22064

>  <Cat> (910)
P3336

>  <Name> (910)
WAY-321961

>  <Synonyms> (910)
N/A

>  <Target> (910)
protein kinase D

>  <Form> (910)
free base

>  <CAS> (910)
370586-05-3

>  <URL> (910)
N/A

$$$$
WAY-322545
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.4167   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -1.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -1.4167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.9042    0.9500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3208   -3.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0333   -2.8542    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  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 17  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
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 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
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 21 18  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (911)
1203

>  <Formula> (911)
C17H19ClN2O3

>  <MolWeight> (911)
334.79736

>  <Cat> (911)
P3337

>  <Name> (911)
WAY-322545

>  <Synonyms> (911)
N/A

>  <Target> (911)
GSK-3¦Á/¦Â

>  <Form> (911)
free base

>  <CAS> (911)
451449-70-0

>  <URL> (911)
N/A

$$$$
WAY-322940
csChFnd80/09261916562D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (912)
1204

>  <Formula> (912)
C22H20N4O4S

>  <MolWeight> (912)
436.4836

>  <Cat> (912)
P3338

>  <Name> (912)
WAY-322940

>  <Synonyms> (912)
N/A

>  <Target> (912)
Rho 

>  <Form> (912)
free base

>  <CAS> (912)
445267-51-6

>  <URL> (912)
N/A

$$$$
WAY-604116
csChFnd80/09261916562D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (913)
1205

>  <Formula> (913)
C17H22N2O

>  <MolWeight> (913)
270.36938

>  <Cat> (913)
P3436

>  <Name> (913)
WAY-604116

>  <Synonyms> (913)
N/A

>  <Target> (913)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (913)
free base

>  <CAS> (913)
121768-39-6

>  <URL> (913)
N/A

$$$$
WAY-603610
csChFnd80/09261916562D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (914)
1206

>  <Formula> (914)
C17H19N3OS

>  <MolWeight> (914)
313.41726

>  <Cat> (914)
P3434

>  <Name> (914)
WAY-603610

>  <Synonyms> (914)
N/A

>  <Target> (914)
GSK3

>  <Form> (914)
free base

>  <CAS> (914)
380450-97-5

>  <URL> (914)
N/A

$$$$
WAY-603814
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0  0  0  0
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 14 17  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (915)
1207

>  <Formula> (915)
C16H13ClN2O3

>  <MolWeight> (915)
316.73902

>  <Cat> (915)
P3435

>  <Name> (915)
WAY-603814

>  <Synonyms> (915)
N/A

>  <Target> (915)
FGFR1, HSP 90 

>  <Form> (915)
free base

>  <CAS> (915)
308298-51-3

>  <URL> (915)
N/A

$$$$
WAY-636900
csChFnd80/09261916562D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 19  6  2  0  0  0  0
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 30 26  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (916)
1208

>  <Formula> (916)
C20H20N4O5S

>  <MolWeight> (916)
428.4616

>  <Cat> (916)
P3489

>  <Name> (916)
WAY-636900

>  <Synonyms> (916)
N/A

>  <Target> (916)
Aurora kinase A

>  <Form> (916)
free base

>  <CAS> (916)
792965-51-6

>  <URL> (916)
N/A

$$$$
WAY-636982
csChFnd80/09261916562D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  5  1  0  0  0  0
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  2  7  2  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (917)
1209

>  <Formula> (917)
C10H14N2O4

>  <MolWeight> (917)
226.22916

>  <Cat> (917)
P3490

>  <Name> (917)
WAY-636982

>  <Synonyms> (917)
N/A

>  <Target> (917)
Aurora kinase A

>  <Form> (917)
free base

>  <CAS> (917)
834-45-7

>  <URL> (917)
N/A

$$$$
WAY-637081
csChFnd80/09261916562D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  6  1  0  0  0  0
 22 13  1  0  0  0  0
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  3  5  1  0  0  0  0
 17 18  2  0  0  0  0
 10 13  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (918)
1210

>  <Formula> (918)
C17H11ClN4O2

>  <MolWeight> (918)
338.74784

>  <Cat> (918)
P3491

>  <Name> (918)
WAY-637081

>  <Synonyms> (918)
N/A

>  <Target> (918)
VEGFR2,Casein kinase 1d

>  <Form> (918)
free base

>  <CAS> (918)
793722-88-0

>  <URL> (918)
N/A

$$$$
WAY-637493
csChFnd80/09261916562D

 25 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  6  1  1  0  0  0  0
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  8  6  1  0  0  0  0
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 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  2  0  0  0  0
 22 11  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
  4  8  1  0  0  0  0
 12 11  2  0  0  0  0
 24 25  1  0  0  0  0
 14 13  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (919)
1211

>  <Formula> (919)
C18H14N4O3

>  <MolWeight> (919)
334.32876

>  <Cat> (919)
P3492

>  <Name> (919)
WAY-637493

>  <Synonyms> (919)
N/A

>  <Target> (919)
Fyn

>  <Form> (919)
free base

>  <CAS> (919)
791600-64-1

>  <URL> (919)
N/A

$$$$
WAY-637845
csChFnd80/09261916562D

 13 14  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
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 10 12  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
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 11 10  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (920)
1212

>  <Formula> (920)
C10H10INO

>  <MolWeight> (920)
287.09697

>  <Cat> (920)
P3493

>  <Name> (920)
WAY-637845

>  <Synonyms> (920)
N/A

>  <Target> (920)
others

>  <Form> (920)
free base

>  <CAS> (920)
794539-14-3

>  <URL> (920)
N/A

$$$$
WAY-655860
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (921)
1213

>  <Formula> (921)
C13H11N3S

>  <MolWeight> (921)
241.31154

>  <Cat> (921)
P3520

>  <Name> (921)
WAY-655860

>  <Synonyms> (921)
N/A

>  <Target> (921)
B-Raf

>  <Form> (921)
free base

>  <CAS> (921)
63895-45-4

>  <URL> (921)
N/A

$$$$
WAY-655978
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (922)
1214

>  <Formula> (922)
C16H12ClN3OS

>  <MolWeight> (922)
329.80398

>  <Cat> (922)
P3521

>  <Name> (922)
WAY-655978

>  <Synonyms> (922)
N/A

>  <Target> (922)
ROCK, ERK, GSK, and AGC

>  <Form> (922)
free base

>  <CAS> (922)
692869-98-0

>  <URL> (922)
N/A

$$$$
WAY-656283
csChFnd80/09261916562D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (923)
1215

>  <Formula> (923)
C12H11NO3S

>  <MolWeight> (923)
249.28564

>  <Cat> (923)
P3522

>  <Name> (923)
WAY-656283

>  <Synonyms> (923)
N/A

>  <Target> (923)
p38

>  <Form> (923)
free base

>  <CAS> (923)
263270-62-8

>  <URL> (923)
N/A

$$$$
WAY-656935
csChFnd80/09261916562D

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 11  6  2  0  0  0  0
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (924)
1216

>  <Formula> (924)
C17H15N3O2S

>  <MolWeight> (924)
325.3849

>  <Cat> (924)
P3523

>  <Name> (924)
WAY-656935

>  <Synonyms> (924)
N/A

>  <Target> (924)
 ROCK, ERK, GSK, and AGC 

>  <Form> (924)
free base

>  <CAS> (924)
852902-81-9

>  <URL> (924)
N/A

$$$$
WAY-657460
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
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 17 20  1  0  0  0  0
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 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  1  0  0  0  0
  6  3  2  0  0  0  0
 10 17  2  0  0  0  0
 22 14  1  0  0  0  0
M  END
>  <Mol_ID> (925)
1217

>  <Formula> (925)
C17H15N3O2S

>  <MolWeight> (925)
325.3849

>  <Cat> (925)
P3524

>  <Name> (925)
WAY-657460

>  <Synonyms> (925)
N/A

>  <Target> (925)
 ROCK, ERK, GSK, and AGC 

>  <Form> (925)
free base

>  <CAS> (925)
853325-19-6

>  <URL> (925)
N/A

$$$$
WAY-323534
csChFnd80/09261916562D

 25 28  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  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
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 17 14  1  0  0  0  0
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 19  8  1  0  0  0  0
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 25 24  1  0  0  0  0
  7  9  2  0  0  0  0
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 15 18  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (926)
1218

>  <Formula> (926)
C20H16ClN3O

>  <MolWeight> (926)
349.81354

>  <Cat> (926)
P3339

>  <Name> (926)
WAY-323534

>  <Synonyms> (926)
N/A

>  <Target> (926)
PASK

>  <Form> (926)
free base

>  <CAS> (926)
854040-96-3

>  <URL> (926)
N/A

$$$$
WAY-323878-A
csChFnd80/09261916562D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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 14  3  1  0  0  0  0
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 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
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  4  5  1  0  0  0  0
 19 18  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (927)
1219

>  <Formula> (927)
C16H14N2O

>  <MolWeight> (927)
250.29516

>  <Cat> (927)
P3340

>  <Name> (927)
WAY-323878-A

>  <Synonyms> (927)
N/A

>  <Target> (927)
CDK

>  <Form> (927)
free base

>  <CAS> (927)
1185726-51-5

>  <URL> (927)
N/A

$$$$
WAY-323879
csChFnd80/09261916562D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (928)
1220

>  <Formula> (928)
C15H14N2O

>  <MolWeight> (928)
238.28446

>  <Cat> (928)
P3341

>  <Name> (928)
WAY-323879

>  <Synonyms> (928)
N/A

>  <Target> (928)
CDK

>  <Form> (928)
free base

>  <CAS> (928)
685097-43-2

>  <URL> (928)
N/A

$$$$
WAY-324418
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (929)
1221

>  <Formula> (929)
C11H10N4O2S

>  <MolWeight> (929)
262.2877

>  <Cat> (929)
P3342

>  <Name> (929)
WAY-324418

>  <Synonyms> (929)
N/A

>  <Target> (929)
Anti-infection

>  <Form> (929)
free base

>  <CAS> (929)
681838-49-3

>  <URL> (929)
N/A

$$$$
WAY-324420
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (930)
1222

>  <Formula> (930)
C12H12N4O2S

>  <MolWeight> (930)
276.31428

>  <Cat> (930)
P3343

>  <Name> (930)
WAY-324420

>  <Synonyms> (930)
N/A

>  <Target> (930)
Anti-infection

>  <Form> (930)
free base

>  <CAS> (930)
681838-50-6

>  <URL> (930)
N/A

$$$$
WAY-324709
csChFnd80/09261916562D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (931)
1223

>  <Formula> (931)
C15H9FN2O3

>  <MolWeight> (931)
284.2419632

>  <Cat> (931)
P3344

>  <Name> (931)
WAY-324709

>  <Synonyms> (931)
N/A

>  <Target> (931)
ATP-kinase

>  <Form> (931)
free base

>  <CAS> (931)
69785-85-9

>  <URL> (931)
N/A

$$$$
WAY-325065
csChFnd80/09261916562D

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 10  7  1  0  0  0  0
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 13  5  1  0  0  0  0
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 15  8  1  0  0  0  0
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M  END
>  <Mol_ID> (932)
1224

>  <Formula> (932)
C16H17N7S

>  <MolWeight> (932)
339.41808

>  <Cat> (932)
P3345

>  <Name> (932)
WAY-325065

>  <Synonyms> (932)
N/A

>  <Target> (932)
MtSk

>  <Form> (932)
free base

>  <CAS> (932)
689762-76-3

>  <URL> (932)
N/A

$$$$
WAY-325185
csChFnd80/09261916562D

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M  END
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343.38034

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P3346

>  <Name> (933)
WAY-325185

>  <Synonyms> (933)
N/A

>  <Target> (933)
VEGFR

>  <Form> (933)
free base

>  <CAS> (933)
342785-98-2

>  <URL> (933)
N/A

$$$$
WAY-606344
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (934)
1230

>  <Formula> (934)
C14H8ClN3O2

>  <MolWeight> (934)
285.68522

>  <Cat> (934)
P3437

>  <Name> (934)
WAY-606344

>  <Synonyms> (934)
N/A

>  <Target> (934)
Casein kinase 1d

>  <Form> (934)
free base

>  <CAS> (934)
380423-28-9

>  <URL> (934)
N/A

$$$$
WAY-606954
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (935)
1231

>  <Formula> (935)
C18H20N4O

>  <MolWeight> (935)
308.3776

>  <Cat> (935)
P3438

>  <Name> (935)
WAY-606954

>  <Synonyms> (935)
N/A

>  <Target> (935)
GSK3

>  <Form> (935)
free base

>  <CAS> (935)
748145-12-2

>  <URL> (935)
N/A

$$$$
WAY-606956
csChFnd80/09261916562D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (936)
1232

>  <Formula> (936)
C18H20N4O

>  <MolWeight> (936)
308.3776

>  <Cat> (936)
P3439

>  <Name> (936)
WAY-606956

>  <Synonyms> (936)
N/A

>  <Target> (936)
GSK3

>  <Form> (936)
free base

>  <CAS> (936)
748145-19-9

>  <URL> (936)
N/A

$$$$
WAY-606957
csChFnd80/09261916562D

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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (937)
1233

>  <Formula> (937)
C18H20N4O

>  <MolWeight> (937)
308.3776

>  <Cat> (937)
P3440

>  <Name> (937)
WAY-606957

>  <Synonyms> (937)
N/A

>  <Target> (937)
GSK3

>  <Form> (937)
free base

>  <CAS> (937)
1062138-03-7

>  <URL> (937)
N/A

$$$$
WAY-606958
csChFnd80/09261916562D

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 22 11  2  0  0  0  0
 23 20  1  0  0  0  0
 24 15  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
  4  9  2  0  0  0  0
 10  8  2  0  0  0  0
 16 18  2  0  0  0  0
 29 27  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (938)
1234

>  <Formula> (938)
C23H23N5O

>  <MolWeight> (938)
385.46162

>  <Cat> (938)
P3441

>  <Name> (938)
WAY-606958

>  <Synonyms> (938)
N/A

>  <Target> (938)
Casein kinase 1¦Ä

>  <Form> (938)
free base

>  <CAS> (938)
882220-11-3

>  <URL> (938)
N/A

$$$$
WAY-297342
csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0961    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1547    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7306    2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1547   -0.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0961   -0.8045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.0749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857    2.9231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591    2.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0108   -1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5832   -0.9286    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  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 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
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (939)
961

>  <Formula> (939)
C15H15N3O2S

>  <MolWeight> (939)
301.3635

>  <Cat> (939)
P3298

>  <Name> (939)
WAY-297342

>  <Synonyms> (939)
N/A

>  <Target> (939)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (939)
free base

>  <CAS> (939)
298207-49-5

>  <URL> (939)
N/A

$$$$
WAY-297629
csChFnd80/09261916562D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.3724    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0207    0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    1.5966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -0.6448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8172    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1724   -1.4034    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
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (940)
962

>  <Formula> (940)
C21H18N2O3

>  <MolWeight> (940)
346.37922

>  <Cat> (940)
P3299

>  <Name> (940)
WAY-297629

>  <Synonyms> (940)
N/A

>  <Target> (940)
VEGFR2

>  <Form> (940)
free base

>  <CAS> (940)
371213-22-8

>  <URL> (940)
N/A

$$$$
GI-569525
csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4763    1.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625   -0.4358    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2694   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -3.5772    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  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (941)
963

>  <Formula> (941)
C18H17NO4S

>  <MolWeight> (941)
343.39688

>  <Cat> (941)
P3260

>  <Name> (941)
GI-569525

>  <Synonyms> (941)
N/A

>  <Target> (941)
Anti-infection

>  <Form> (941)
free base

>  <CAS> (941)
96334-43-9

>  <URL> (941)
N/A

$$$$
WAY-298041
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7690   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0103    1.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5138    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5310    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (942)
964

>  <Formula> (942)
C17H15N3O2

>  <MolWeight> (942)
293.3199

>  <Cat> (942)
P3300

>  <Name> (942)
WAY-298041

>  <Synonyms> (942)
N/A

>  <Target> (942)
c-Met

>  <Form> (942)
free base

>  <CAS> (942)
299405-67-7

>  <URL> (942)
N/A

$$$$
WAY-298350
csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735   -8.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -7.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -3.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1695   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5640   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450  -10.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8400   -7.4350    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  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (943)
965

>  <Formula> (943)
C17H17NO3

>  <MolWeight> (943)
283.32178

>  <Cat> (943)
P3301

>  <Name> (943)
WAY-298350

>  <Synonyms> (943)
N/A

>  <Target> (943)
A kinase anchor protein/protein kinase A int

>  <Form> (943)
free base

>  <CAS> (943)
304888-67-3

>  <URL> (943)
N/A

$$$$
WAY-298516
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (944)
966

>  <Formula> (944)
C14H13ClN2O3

>  <MolWeight> (944)
292.71762

>  <Cat> (944)
P3302

>  <Name> (944)
WAY-298516

>  <Synonyms> (944)
N/A

>  <Target> (944)
Androgen Receptor,RAD51,GSK-3

>  <Form> (944)
free base

>  <CAS> (944)
103056-35-5

>  <URL> (944)
N/A

$$$$
WAY-298668
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (945)
967

>  <Formula> (945)
C22H23N5O3

>  <MolWeight> (945)
405.44972

>  <Cat> (945)
P3303

>  <Name> (945)
WAY-298668

>  <Synonyms> (945)
N/A

>  <Target> (945)
Aurora-A,JAMM protease

>  <Form> (945)
free base

>  <CAS> (945)
371224-09-8

>  <URL> (945)
N/A

$$$$
WAY-607324
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (946)
968

>  <Formula> (946)
C13H8N2O2S2

>  <MolWeight> (946)
288.34482

>  <Cat> (946)
P3442

>  <Name> (946)
WAY-607324

>  <Synonyms> (946)
N/A

>  <Target> (946)
Mcl-1,ASK1

>  <Form> (946)
free base

>  <CAS> (946)
1427537-92-5

>  <URL> (946)
N/A

$$$$
WAY-607500
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (947)
969

>  <Formula> (947)
C19H18N2O2

>  <MolWeight> (947)
306.35842

>  <Cat> (947)
P3443

>  <Name> (947)
WAY-607500

>  <Synonyms> (947)
N/A

>  <Target> (947)
VEGFR

>  <Form> (947)
free base

>  <CAS> (947)
186610-88-8

>  <URL> (947)
N/A

$$$$
WAY-607738
csChFnd80/09261916562D

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 31 29  2  0  0  0  0
 32 31  1  0  0  0  0
  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> (948)
970

>  <Formula> (948)
C22H18N4O6

>  <MolWeight> (948)
434.40152

>  <Cat> (948)
P3444

>  <Name> (948)
WAY-607738

>  <Synonyms> (948)
N/A

>  <Target> (948)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (948)
free base

>  <CAS> (948)
522624-94-8

>  <URL> (948)
N/A

$$$$
WAY-607777
csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    0.2417   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5167    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -1.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    2.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7542    0.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8833   -2.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 20  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 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> (949)
971

>  <Formula> (949)
C16H12ClN3O2S2

>  <MolWeight> (949)
377.86838

>  <Cat> (949)
P3445

>  <Name> (949)
WAY-607777

>  <Synonyms> (949)
N/A

>  <Target> (949)
Casein kinase 1d

>  <Form> (949)
free base

>  <CAS> (949)
522626-08-0

>  <URL> (949)
N/A

$$$$
WAY-619275
csChFnd80/09261916562D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.9167    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 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> (950)
972

>  <Formula> (950)
C12H11N5O

>  <MolWeight> (950)
241.24864

>  <Cat> (950)
P3457

>  <Name> (950)
WAY-619275

>  <Synonyms> (950)
N/A

>  <Target> (950)
Plk1 kinase,EphB2

>  <Form> (950)
free base

>  <CAS> (950)
73663-97-5

>  <URL> (950)
N/A

$$$$
WAY-619999
csChFnd80/09261916562D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -4.4292    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    1.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1458   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2875    0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1458    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2125    0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583   -1.4875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2125   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    0.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  2  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14 24  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17 31  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  1  1  0  0  0  0
 23 27  1  0  0  0  0
 24 15  1  0  0  0  0
 25 11  1  0  0  0  0
 26  5  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 30 26  1  0  0  0  0
  3  6  2  0  0  0  0
 10 16  1  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (951)
973

>  <Formula> (951)
C22H19Cl2N3O4

>  <MolWeight> (951)
460.30996

>  <Cat> (951)
P3458

>  <Name> (951)
WAY-619999

>  <Synonyms> (951)
N/A

>  <Target> (951)
CK2,GSK3¦Â

>  <Form> (951)
free base

>  <CAS> (951)
736932-33-5

>  <URL> (951)
N/A

$$$$
WAY-620099
csChFnd80/09261916562D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5875    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750    0.5750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    1.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.7458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6792   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2708    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.9333    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  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
  4  5  1  0  0  0  0
 20 19  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (952)
974

>  <Formula> (952)
C15H12ClN3S

>  <MolWeight> (952)
301.79388

>  <Cat> (952)
P3459

>  <Name> (952)
WAY-620099

>  <Synonyms> (952)
N/A

>  <Target> (952)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (952)
free base

>  <CAS> (952)
128277-24-7

>  <URL> (952)
N/A

$$$$
WAY-620147
csChFnd80/09261916562D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.1537   -0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525   -0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715   -1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -0.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348    0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1164   -0.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4023    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4438    0.1995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9599    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4809    0.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4785    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6713   -1.6020    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  2  0  0  0  0
 12 17  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
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (953)
975

>  <Formula> (953)
C12H16BrN3O2

>  <MolWeight> (953)
314.17834

>  <Cat> (953)
P3460

>  <Name> (953)
WAY-620147

>  <Synonyms> (953)
N/A

>  <Target> (953)
monoamine oxidase a

>  <Form> (953)
free base

>  <CAS> (953)
515866-67-8

>  <URL> (953)
N/A

$$$$
WAY-638641
csChFnd80/09261916562D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.9125   -1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2167   -1.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8042   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6625    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9333    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375   -1.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -1.9292    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10 21  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
 16 25  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (954)
976

>  <Formula> (954)
C16H17N3O5S

>  <MolWeight> (954)
363.38828

>  <Cat> (954)
P3494

>  <Name> (954)
WAY-638641

>  <Synonyms> (954)
N/A

>  <Target> (954)
Aurora kinase A

>  <Form> (954)
free base

>  <CAS> (954)
796068-62-7

>  <URL> (954)
N/A

$$$$
WAY-638796
csChFnd80/09261916562D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.4500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2167   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -1.4542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667   -0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.1292    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  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 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> (955)
977

>  <Formula> (955)
C14H10ClN3S

>  <MolWeight> (955)
287.7673

>  <Cat> (955)
P3495

>  <Name> (955)
WAY-638796

>  <Synonyms> (955)
N/A

>  <Target> (955)
tyrosine kinase

>  <Form> (955)
free base

>  <CAS> (955)
796067-64-6

>  <URL> (955)
N/A

$$$$
WAY-639405
csChFnd80/09261916562D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.9917    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4333   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0917    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.3333    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  6  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
  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> (956)
978

>  <Formula> (956)
C21H18N4O2S

>  <MolWeight> (956)
390.45822

>  <Cat> (956)
P3496

>  <Name> (956)
WAY-639405

>  <Synonyms> (956)
N/A

>  <Target> (956)
tyrosine kinase,phosphodiesterase V

>  <Form> (956)
free base

>  <CAS> (956)
796052-04-5

>  <URL> (956)
N/A

$$$$
WAY-658341
csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.2417   -0.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0250    1.0333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1583   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4083   -0.7167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625    0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  4  6  1  0  0  0  0
 28 22  2  0  0  0  0
  3  7  2  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (957)
979

>  <Formula> (957)
C18H15BrN6O2S

>  <MolWeight> (957)
459.3197

>  <Cat> (957)
P3525

>  <Name> (957)
WAY-658341

>  <Synonyms> (957)
N/A

>  <Target> (957)
Casein kinase 1d

>  <Form> (957)
free base

>  <CAS> (957)
849012-74-4

>  <URL> (957)
N/A

$$$$
WAY-658513
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -0.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    1.3708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -3.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -1.1417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    3.0833    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  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 21  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
  8  3  2  0  0  0  0
 14 20  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (958)
980

>  <Formula> (958)
C16H11ClFN3OS

>  <MolWeight> (958)
347.7944432

>  <Cat> (958)
P3526

>  <Name> (958)
WAY-658513

>  <Synonyms> (958)
N/A

>  <Target> (958)
ROCK, ERK, GSK, and AGC

>  <Form> (958)
free base

>  <CAS> (958)
692870-25-0

>  <URL> (958)
N/A

$$$$
WAY-326250
csChFnd80/09261916562D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    7.0667   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8167   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6417    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (959)
981

>  <Formula> (959)
C15H13N5OS

>  <MolWeight> (959)
311.36162

>  <Cat> (959)
P3351

>  <Name> (959)
WAY-326250

>  <Synonyms> (959)
N/A

>  <Target> (959)
shikimate kinase

>  <Form> (959)
free base

>  <CAS> (959)
869872-13-9

>  <URL> (959)
N/A

$$$$
WAY-326542
csChFnd80/09261916562D

 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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   13.3250   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -11.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1417   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8250   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 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> (960)
982

>  <Formula> (960)
C16H15NO3S

>  <MolWeight> (960)
301.3602

>  <Cat> (960)
P3352

>  <Name> (960)
WAY-326542

>  <Synonyms> (960)
N/A

>  <Target> (960)
CDK5/p25

>  <Form> (960)
free base

>  <CAS> (960)
870983-04-3

>  <URL> (960)
N/A

$$$$
WAY-326578
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6415   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415   -0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2710   -0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2585   -3.8199    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  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 21  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 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> (961)
983

>  <Formula> (961)
C16H16N2O3S

>  <MolWeight> (961)
316.37484

>  <Cat> (961)
P3353

>  <Name> (961)
WAY-326578

>  <Synonyms> (961)
N/A

>  <Target> (961)
GSK-3b

>  <Form> (961)
free base

>  <CAS> (961)
870984-34-2

>  <URL> (961)
N/A

$$$$
WAY-326890
csChFnd80/09261916562D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4436   11.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552   11.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  2  0  0  0  0
 16  3  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 18  6  1  0  0  0  0
  7  5  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (962)
984

>  <Formula> (962)
C17H17N3O3S2

>  <MolWeight> (962)
375.46518

>  <Cat> (962)
P3354

>  <Name> (962)
WAY-326890

>  <Synonyms> (962)
N/A

>  <Target> (962)
Others

>  <Form> (962)
free base

>  <CAS> (962)
685865-67-2

>  <URL> (962)
N/A

$$$$
WAY-326891
csChFnd80/09261916562D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.3991   10.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
 16  6  1  0  0  0  0
  7  5  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (963)
985

>  <Formula> (963)
C17H17N3O3S2

>  <MolWeight> (963)
375.46518

>  <Cat> (963)
P3355

>  <Name> (963)
WAY-326891

>  <Synonyms> (963)
N/A

>  <Target> (963)
kinase

>  <Form> (963)
free base

>  <CAS> (963)
685865-71-8

>  <URL> (963)
N/A

$$$$
WAY-326892
csChFnd80/09261916562D

 25 27  0  0  0  0  0  0  0  0999 V2000
  -10.0625    5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1292    7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0625    3.6875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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986

>  <Formula> (964)
C17H17N3O3S2

>  <MolWeight> (964)
375.46518

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P3356

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WAY-326892

>  <Synonyms> (964)
N/A

>  <Target> (964)
kinase

>  <Form> (964)
free base

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685865-72-9

>  <URL> (964)
N/A

$$$$
WAY-326893
csChFnd80/09261916562D

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>  <Mol_ID> (965)
987

>  <Formula> (965)
C17H17N3O3S2

>  <MolWeight> (965)
375.46518

>  <Cat> (965)
P3357

>  <Name> (965)
WAY-326893

>  <Synonyms> (965)
N/A

>  <Target> (965)
Others

>  <Form> (965)
free base

>  <CAS> (965)
685865-73-0

>  <URL> (965)
N/A

$$$$
WAY-326894
csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (966)
988

>  <Formula> (966)
C15H12FN3O3S2

>  <MolWeight> (966)
365.4024832

>  <Cat> (966)
P3358

>  <Name> (966)
WAY-326894

>  <Synonyms> (966)
N/A

>  <Target> (966)
kinase

>  <Form> (966)
free base

>  <CAS> (966)
685865-75-2

>  <URL> (966)
N/A

$$$$
WAY-327480
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (967)
989

>  <Formula> (967)
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>  <MolWeight> (967)
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>  <Cat> (967)
P3359

>  <Name> (967)
WAY-327480

>  <Synonyms> (967)
N/A

>  <Target> (967)
ROS

>  <Form> (967)
free base

>  <CAS> (967)
687576-28-9

>  <URL> (967)
N/A

$$$$
WAY-328158
csChFnd80/09261916562D

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  5  9  2  0  0  0  0
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 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (968)
990

>  <Formula> (968)
C19H16FN3O3S

>  <MolWeight> (968)
385.4120432

>  <Cat> (968)
P3360

>  <Name> (968)
WAY-328158

>  <Synonyms> (968)
N/A

>  <Target> (968)
BCR-ABL

>  <Form> (968)
free base

>  <CAS> (968)
688050-42-2

>  <URL> (968)
N/A

$$$$
WAY-621129
csChFnd80/09261916562D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (969)
991

>  <Formula> (969)
C16H12O4

>  <MolWeight> (969)
268.26408

>  <Cat> (969)
P3461

>  <Name> (969)
WAY-621129

>  <Synonyms> (969)
N/A

>  <Target> (969)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (969)
free base

>  <CAS> (969)
6889-78-7

>  <URL> (969)
N/A

$$$$
WAY-621555
csChFnd80/09261916562D

 27 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
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 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  1  0  0  0  0
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 10  8  2  0  0  0  0
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 27 20  1  0  0  0  0
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M  END
>  <Mol_ID> (970)
992

>  <Formula> (970)
C22H21N5

>  <MolWeight> (970)
355.43564

>  <Cat> (970)
P3462

>  <Name> (970)
WAY-621555

>  <Synonyms> (970)
N/A

>  <Target> (970)
Casein kinase 1¦Ä

>  <Form> (970)
free base

>  <CAS> (970)
956753-89-2

>  <URL> (970)
N/A

$$$$
WAY-621640
csChFnd80/09261916562D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 13  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 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17  1  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  1  0  0  0  0
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 15 20  1  0  0  0  0
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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (971)
993

>  <Formula> (971)
C17H15N3O2S

>  <MolWeight> (971)
325.3849

>  <Cat> (971)
P3463

>  <Name> (971)
WAY-621640

>  <Synonyms> (971)
N/A

>  <Target> (971)
Casein kinase 1¦Ä

>  <Form> (971)
free base

>  <CAS> (971)
742113-71-9

>  <URL> (971)
N/A

$$$$
WAY-621856
csChFnd80/09261916562D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  6  2  0  0  0  0
 11 17  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15  7  1  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 25  2  0  0  0  0
 23 16  2  0  0  0  0
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  3  7  1  0  0  0  0
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 21 18  2  0  0  0  0
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M  END
>  <Mol_ID> (972)
994

>  <Formula> (972)
C16H9N5O3S

>  <MolWeight> (972)
351.33936

>  <Cat> (972)
P3464

>  <Name> (972)
WAY-621856

>  <Synonyms> (972)
N/A

>  <Target> (972)
FGFR

>  <Form> (972)
free base

>  <CAS> (972)
606958-57-0

>  <URL> (972)
N/A

$$$$
WAY-639932
csChFnd80/09261916562D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
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 23 19  1  0  0  0  0
  7  5  1  0  0  0  0
  9 12  1  0  0  0  0
 19 17  2  0  0  0  0
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M  END
>  <Mol_ID> (973)
995

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C17H12N4S2

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P3497

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WAY-639932

>  <Synonyms> (973)
N/A

>  <Target> (973)
Casein kinase 1¦Ä

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free base

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851467-69-1

>  <URL> (973)
N/A

$$$$
WAY-660114
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (974)
996

>  <Formula> (974)
C14H9FN6S2

>  <MolWeight> (974)
344.3898632

>  <Cat> (974)
P3527

>  <Name> (974)
WAY-660114

>  <Synonyms> (974)
N/A

>  <Target> (974)
kinase

>  <Form> (974)
free base

>  <CAS> (974)
871317-00-9

>  <URL> (974)
N/A

$$$$
WAY-660222
csChFnd80/09261916562D

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 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
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 15  6  1  0  0  0  0
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 10  6  2  0  0  0  0
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M  END
>  <Mol_ID> (975)
997

>  <Formula> (975)
C19H13FO

>  <MolWeight> (975)
276.3043232

>  <Cat> (975)
P3528

>  <Name> (975)
WAY-660222

>  <Synonyms> (975)
N/A

>  <Target> (975)
EGFR

>  <Form> (975)
free base

>  <CAS> (975)
867294-23-3

>  <URL> (975)
N/A

$$$$
WAY-660667
csChFnd80/09261916562D

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 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
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M  END
>  <Mol_ID> (976)
998

>  <Formula> (976)
C17H17N5O3

>  <MolWeight> (976)
339.34858

>  <Cat> (976)
P3529

>  <Name> (976)
WAY-660667

>  <Synonyms> (976)
N/A

>  <Target> (976)
ROS

>  <Form> (976)
free base

>  <CAS> (976)
871218-26-7

>  <URL> (976)
N/A

$$$$
WAY-661516
csChFnd80/09261916562D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
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 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
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M  END
>  <Mol_ID> (977)
999

>  <Formula> (977)
C15H15ClFN3O5

>  <MolWeight> (977)
371.7481032

>  <Cat> (977)
P3530

>  <Name> (977)
WAY-661516

>  <Synonyms> (977)
N/A

>  <Target> (977)
Aurora kinase A

>  <Form> (977)
free base

>  <CAS> (977)
875163-98-7

>  <URL> (977)
N/A

$$$$
CL-230482
csChFnd80/09261916562D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (978)
1000

>  <Formula> (978)
C15H12N2O

>  <MolWeight> (978)
236.26858

>  <Cat> (978)
P3255

>  <Name> (978)
CL-230482

>  <Synonyms> (978)
N/A

>  <Target> (978)
PDGFR

>  <Form> (978)
free base

>  <CAS> (978)
909859-35-4

>  <URL> (978)
N/A

$$$$
WYE-163716-A
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   -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
   -3.4024    1.2279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5872   -2.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714    2.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8507    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5059    2.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769   -1.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0424    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (979)
1001

>  <Formula> (979)
C15H14N4O2S2

>  <MolWeight> (979)
346.42726

>  <Cat> (979)
P3533

>  <Name> (979)
WYE-163716-A

>  <Synonyms> (979)
N/A

>  <Target> (979)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (979)
free base

>  <CAS> (979)
92902-64-2

>  <URL> (979)
N/A

$$$$
WYE-175765
csChFnd80/09261916562D

 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> (980)
1002

>  <Formula> (980)
C14H13NO6S

>  <MolWeight> (980)
323.32112

>  <Cat> (980)
P3534

>  <Name> (980)
WYE-175765

>  <Synonyms> (980)
N/A

>  <Target> (980)
JAK3,YopH,antibacterial

>  <Form> (980)
free base

>  <CAS> (980)
956236-35-4

>  <URL> (980)
N/A

$$$$
WYE-175829
csChFnd80/09261916562D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    1.7667   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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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    1.7667    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (981)
1003

>  <Formula> (981)
C13H14N2O3S

>  <MolWeight> (981)
278.32686

>  <Cat> (981)
P3535

>  <Name> (981)
WYE-175829

>  <Synonyms> (981)
N/A

>  <Target> (981)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (981)
free base

>  <CAS> (981)
327093-01-6

>  <URL> (981)
N/A

$$$$
WYE-175837
csChFnd80/09261916562D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (982)
1004

>  <Formula> (982)
C14H14N2O2

>  <MolWeight> (982)
242.27316

>  <Cat> (982)
P3536

>  <Name> (982)
WYE-175837

>  <Synonyms> (982)
N/A

>  <Target> (982)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (982)
free base

>  <CAS> (982)
891-35-0

>  <URL> (982)
N/A

$$$$
WYE-175840
csChFnd80/09261916562D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8167   -0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5042    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (983)
1005

>  <Formula> (983)
C17H19N5O3S

>  <MolWeight> (983)
373.42946

>  <Cat> (983)
P3537

>  <Name> (983)
WYE-175840

>  <Synonyms> (983)
N/A

>  <Target> (983)
Glutamate Racemase,protein kinase-activated 

>  <Form> (983)
free base

>  <CAS> (983)
380432-29-1

>  <URL> (983)
N/A

$$$$
WYE-176092
csChFnd80/09261916562D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5910    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -0.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3531    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1669   -1.3511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090   -1.0477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090    0.7040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1565    1.9385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9807   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435   -0.5960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1952    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435    0.5730    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
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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M  END
>  <Mol_ID> (984)
1006

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282.38176

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>  <Synonyms> (984)
N/A

>  <Target> (984)
Anti-infection

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free base

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121746-06-3

>  <URL> (984)
N/A

$$$$
WAY-333491
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (985)
1007

>  <Formula> (985)
C18H19N5OS

>  <MolWeight> (985)
353.44136

>  <Cat> (985)
P3379

>  <Name> (985)
WAY-333491

>  <Synonyms> (985)
N/A

>  <Target> (985)
LRRK2

>  <Form> (985)
free base

>  <CAS> (985)
852375-30-5

>  <URL> (985)
N/A

$$$$
WAY-333434
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (986)
1008

>  <Formula> (986)
C19H20FN5OS

>  <MolWeight> (986)
385.4584032

>  <Cat> (986)
P3378

>  <Name> (986)
WAY-333434

>  <Synonyms> (986)
N/A

>  <Target> (986)
Others

>  <Form> (986)
free base

>  <CAS> (986)
721964-45-0

>  <URL> (986)
N/A

$$$$
WAY-662864
csChFnd80/09261916562D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (987)
1009

>  <Formula> (987)
C15H22N4O5S

>  <MolWeight> (987)
370.42398

>  <Cat> (987)
P3531

>  <Name> (987)
WAY-662864

>  <Synonyms> (987)
N/A

>  <Target> (987)
UMPK

>  <Form> (987)
free base

>  <CAS> (987)
1621866-83-8

>  <URL> (987)
N/A

$$$$
WAY-278752
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (988)
1010

>  <Formula> (988)
C14H7Cl2NO3S

>  <MolWeight> (988)
340.18128

>  <Cat> (988)
P3295

>  <Name> (988)
WAY-278752

>  <Synonyms> (988)
N/A

>  <Target> (988)
IGF1R

>  <Form> (988)
free base

>  <CAS> (988)
331652-38-1

>  <URL> (988)
N/A

$$$$
WAY-329594
csChFnd80/09261916562D

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 13  1  2  0  0  0  0
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M  END
>  <Mol_ID> (989)
1011

>  <Formula> (989)
C14H10BrN3O3S2

>  <MolWeight> (989)
412.2815

>  <Cat> (989)
P3369

>  <Name> (989)
WAY-329594

>  <Synonyms> (989)
N/A

>  <Target> (989)
others

>  <Form> (989)
free base

>  <CAS> (989)
956910-37-5

>  <URL> (989)
N/A

$$$$
WAY-329599
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  2  2  0  0  0  0
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M  END
>  <Mol_ID> (990)
1012

>  <Formula> (990)
C14H10FN3O3S2

>  <MolWeight> (990)
351.3759032

>  <Cat> (990)
P3371

>  <Name> (990)
WAY-329599

>  <Synonyms> (990)
N/A

>  <Target> (990)
others

>  <Form> (990)
free base

>  <CAS> (990)
956910-38-6

>  <URL> (990)
N/A

$$$$
WAY-329603
csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  2  0  0  0  0
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M  END
>  <Mol_ID> (991)
1013

>  <Formula> (991)
C15H12ClN3O3S2

>  <MolWeight> (991)
381.85708

>  <Cat> (991)
P3372

>  <Name> (991)
WAY-329603

>  <Synonyms> (991)
N/A

>  <Target> (991)
others

>  <Form> (991)
free base

>  <CAS> (991)
956910-39-7

>  <URL> (991)
N/A

$$$$
WAY-329598
csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
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 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
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 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (992)
1014

>  <Formula> (992)
C16H15N3O3S2

>  <MolWeight> (992)
361.4386

>  <Cat> (992)
P3370

>  <Name> (992)
WAY-329598

>  <Synonyms> (992)
N/A

>  <Target> (992)
others

>  <Form> (992)
free base

>  <CAS> (992)
956910-48-8

>  <URL> (992)
N/A

$$$$
WAY-329607
csChFnd80/09261916562D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
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 20  9  2  0  0  0  0
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 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (993)
1015

>  <Formula> (993)
C14H9ClFN3O3S2

>  <MolWeight> (993)
385.8209632

>  <Cat> (993)
P3373

>  <Name> (993)
WAY-329607

>  <Synonyms> (993)
N/A

>  <Target> (993)
others

>  <Form> (993)
free base

>  <CAS> (993)
956920-91-5

>  <URL> (993)
N/A

$$$$
WAY-278535
csChFnd80/09261916562D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (994)
1016

>  <Formula> (994)
C10H6ClNO2S

>  <MolWeight> (994)
239.67814

>  <Cat> (994)
P3293

>  <Name> (994)
WAY-278535

>  <Synonyms> (994)
N/A

>  <Target> (994)
Pim-1,Pim-2,PPAR

>  <Form> (994)
free base

>  <CAS> (994)
24138-83-8

>  <URL> (994)
N/A

$$$$
WAY-278534
csChFnd80/09261916562D

 16 17  0  0  0  0  0  0  0  0999 V2000
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   -3.9833    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    3.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458    1.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    2.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1000    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
  3  5  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (995)
1017

>  <Formula> (995)
C11H9NO3S

>  <MolWeight> (995)
235.25906

>  <Cat> (995)
P3292

>  <Name> (995)
WAY-278534

>  <Synonyms> (995)
N/A

>  <Target> (995)
Pim-1,Pim-2

>  <Form> (995)
free base

>  <CAS> (995)
6320-51-0

>  <URL> (995)
N/A

$$$$
WAY-299369
csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0795   -0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416    0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1688    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8554    1.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1584    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -2.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1312   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3416   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3312    2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8826    0.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8067   -2.9069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4795    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205   -0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4826   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  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
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  2  0  0  0  0
 13 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (996)
1018

>  <Formula> (996)
C15H15ClN2O3

>  <MolWeight> (996)
306.7442

>  <Cat> (996)
P3304

>  <Name> (996)
WAY-299369

>  <Synonyms> (996)
N/A

>  <Target> (996)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (996)
free base

>  <CAS> (996)
1005078-45-4

>  <URL> (996)
N/A

$$$$
WAY-382818
csChFnd80/09261916562D

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.1542   -7.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -7.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5042   -7.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -4.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4417   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9417   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2542   -2.0250    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  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  2  0  0  0  0
 11 17  1  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 19  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 11  2  0  0  0  0
 21  9  1  0  0  0  0
 22 12  2  0  0  0  0
 23  1  1  0  0  0  0
 24  2  1  0  0  0  0
 25 13  1  0  0  0  0
 26 14  1  0  0  0  0
 27 21  2  0  0  0  0
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
 31 27  1  0  0  0  0
 32 28  2  0  0  0  0
 33 32  1  0  0  0  0
  6  5  1  0  0  0  0
  8  9  2  0  0  0  0
 30 26  2  0  0  0  0
 33 31  2  0  0  0  0
M  END
>  <Mol_ID> (997)
1019

>  <Formula> (997)
C24H20N4O5

>  <MolWeight> (997)
444.4394

>  <Cat> (997)
P3418

>  <Name> (997)
WAY-382818

>  <Synonyms> (997)
N/A

>  <Target> (997)
mitogen-activated protein kinase phosphatase

>  <Form> (997)
free base

>  <CAS> (997)
1022922-35-5

>  <URL> (997)
N/A

$$$$
WAY-383270
csChFnd80/09261916562D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.5542   -2.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292   -3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5792   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792   -3.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3042   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -6.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1042   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7500   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625    3.0708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5625   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1792   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2042   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.3417    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  2  0  0  0  0
 18  5  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22  6  2  0  0  0  0
 23 10  1  0  0  0  0
 24 14  1  0  0  0  0
 25 14  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 17 20  1  0  0  0  0
  6  4  1  0  0  0  0
 22 27  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (998)
1020

>  <Formula> (998)
C23H24FN3O2S

>  <MolWeight> (998)
425.5189632

>  <Cat> (998)
P3419

>  <Name> (998)
WAY-383270

>  <Synonyms> (998)
N/A

>  <Target> (998)
Casein kinase 1¦Ä

>  <Form> (998)
free base

>  <CAS> (998)
1024284-84-1

>  <URL> (998)
N/A

$$$$
GI-566508
csChFnd80/09261916562D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.1175   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865   -1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5865    0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -2.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1175   -2.7968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9348   -1.7140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8969    1.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    0.2446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -2.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135    1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0445    1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445    2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7342    2.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652    3.7032    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  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
 17 19  2  0  0  0  0
 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> (999)
1021

>  <Formula> (999)
C17H17N3S

>  <MolWeight> (999)
295.40198

>  <Cat> (999)
P3259

>  <Name> (999)
GI-566508

>  <Synonyms> (999)
N/A

>  <Target> (999)
EGFR 

>  <Form> (999)
free base

>  <CAS> (999)
1164458-14-3

>  <URL> (999)
N/A

$$$$
WAY-107407
csChFnd80/09261916562D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.7897    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3759    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  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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  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> (1,000)
1022

>  <Formula> (1,000)
C15H12N2O3

>  <MolWeight> (1,000)
268.26738

>  <Cat> (1,000)
P3262

>  <Name> (1,000)
WAY-107407

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
PI3K

>  <Form> (1,000)
free base

>  <CAS> (1,000)
1164469-67-3

>  <URL> (1,000)
N/A

$$$$
WAY-114506
csChFnd80/09261916562D

 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> (1,001)
1023

>  <Formula> (1,001)
C10H18N4O4

>  <MolWeight> (1,001)
258.27432

>  <Cat> (1,001)
P3265

>  <Name> (1,001)
WAY-114506

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
amyloid beta

>  <Form> (1,001)
free base

>  <CAS> (1,001)
1164500-43-9

>  <URL> (1,001)
N/A

$$$$
WAY-221060-A
csChFnd80/09261916562D

 19 21  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  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
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 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,002)
1024

>  <Formula> (1,002)
C17H25NO

>  <MolWeight> (1,002)
259.3865

>  <Cat> (1,002)
P3266

>  <Name> (1,002)
WAY-221060-A

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,002)
free base

>  <CAS> (1,002)
1351406-38-6

>  <URL> (1,002)
N/A

$$$$
WAY-240932
csChFnd80/09261916562D

 21 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  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
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 10 15  1  0  0  0  0
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 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> (1,003)
1025

>  <Formula> (1,003)
C15H11BrN2O2S

>  <MolWeight> (1,003)
363.22904

>  <Cat> (1,003)
P3269

>  <Name> (1,003)
WAY-240932

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
serine/threonine kinase

>  <Form> (1,003)
free base

>  <CAS> (1,003)
326914-66-3

>  <URL> (1,003)
N/A

$$$$
WAY-299590
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  2  4  2  0  0  0  0
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  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  1  0  0  0  0
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 18 10  2  0  0  0  0
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 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 20 22  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1026

>  <Formula> (1,004)
C19H20FNO

>  <MolWeight> (1,004)
297.3666032

>  <Cat> (1,004)
P3305

>  <Name> (1,004)
WAY-299590

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
InhA,p38a

>  <Form> (1,004)
free base

>  <CAS> (1,004)
260428-61-3

>  <URL> (1,004)
N/A

$$$$
WAY-300062
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,005)
1027

>  <Formula> (1,005)
C16H16N4O2S

>  <MolWeight> (1,005)
328.38884

>  <Cat> (1,005)
P3307

>  <Name> (1,005)
WAY-300062

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
Anti-infection

>  <Form> (1,005)
free base

>  <CAS> (1,005)
330990-68-6

>  <URL> (1,005)
N/A

$$$$
WAY-299721
csChFnd80/09261916562D

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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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  5 10  1  0  0  0  0
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  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
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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> (1,006)
1028

>  <Formula> (1,006)
C18H15ClF3N5OS

>  <MolWeight> (1,006)
441.8578096

>  <Cat> (1,006)
P3306

>  <Name> (1,006)
WAY-299721

>  <Synonyms> (1,006)
N/A

>  <Target> (1,006)
SYK kinase

>  <Form> (1,006)
free base

>  <CAS> (1,006)
338427-78-4

>  <URL> (1,006)
N/A

$$$$
WAY-300385
csChFnd80/09261916562D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,007)
1029

>  <Formula> (1,007)
C13H15N3O2S2

>  <MolWeight> (1,007)
309.4071

>  <Cat> (1,007)
P3308

>  <Name> (1,007)
WAY-300385

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
Anti-infection

>  <Form> (1,007)
free base

>  <CAS> (1,007)
500188-71-6

>  <URL> (1,007)
N/A

$$$$
WAY-300442
csChFnd80/09261916562D

 25 28  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  2  0  0  0  0
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  3  7  1  0  0  0  0
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 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 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> (1,008)
1030

>  <Formula> (1,008)
C18H11BrN2O4

>  <MolWeight> (1,008)
399.19494

>  <Cat> (1,008)
P3309

>  <Name> (1,008)
WAY-300442

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
ATP-kinase

>  <Form> (1,008)
free base

>  <CAS> (1,008)
333773-08-3

>  <URL> (1,008)
N/A

$$$$
WAY-384934
csChFnd80/09261916562D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    9.0625  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
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 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 20  1  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 27 26  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 28  2  0  0  0  0
  5  3  1  0  0  0  0
 27 19  2  0  0  0  0
 17 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,009)
1031

>  <Formula> (1,009)
C24H22N4O2

>  <MolWeight> (1,009)
398.45708

>  <Cat> (1,009)
P3420

>  <Name> (1,009)
WAY-384934

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
pyruvate kinase

>  <Form> (1,009)
free base

>  <CAS> (1,009)
498568-75-5

>  <URL> (1,009)
N/A

$$$$
WAY-388796
csChFnd80/09261916562D

 15 17  0  0  0  0  0  0  0  0999 V2000
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   -3.2875    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C11H11ClN2S

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238.73644

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P3421

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WAY-388796

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N/A

>  <Target> (1,010)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,010)
free base

>  <CAS> (1,010)
40106-58-9

>  <URL> (1,010)
N/A

$$$$
WAY-388798
csChFnd80/09261916562D

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>  <Synonyms> (1,011)
N/A

>  <Target> (1,011)
GPR40,histone deacetylase,mGluR5 receptor

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free base

>  <CAS> (1,011)
63417-81-2

>  <URL> (1,011)
N/A

$$$$
WAY-346940
csChFnd80/09261916562D

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C15H11ClN4O2S

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346.79144

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P3391

>  <Name> (1,012)
WAY-346940

>  <Synonyms> (1,012)
N/A

>  <Target> (1,012)
Rho

>  <Form> (1,012)
free base

>  <CAS> (1,012)
392246-66-1

>  <URL> (1,012)
N/A

$$$$
WAY-347243
csChFnd80/09261916562D

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>  <Name> (1,013)
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>  <Synonyms> (1,013)
N/A

>  <Target> (1,013)
Anti-infection

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free base

>  <CAS> (1,013)
422298-69-9

>  <URL> (1,013)
N/A

$$$$
WAY-347626
csChFnd80/09261916562D

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1036

>  <Formula> (1,014)
C17H15N3O3

>  <MolWeight> (1,014)
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>  <Cat> (1,014)
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>  <Name> (1,014)
WAY-347626

>  <Synonyms> (1,014)
N/A

>  <Target> (1,014)
CDK2

>  <Form> (1,014)
free base

>  <CAS> (1,014)
756843-31-9

>  <URL> (1,014)
N/A

$$$$
WAY-347806
csChFnd80/09261916562D

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1037

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>  <Cat> (1,015)
P3394

>  <Name> (1,015)
WAY-347806

>  <Synonyms> (1,015)
N/A

>  <Target> (1,015)
CK2,GSK3¦Â

>  <Form> (1,015)
free base

>  <CAS> (1,015)
757198-76-8

>  <URL> (1,015)
N/A

$$$$
WAY-349807
csChFnd80/09261916562D

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  2  1  1  0  0  0  0
  3  9  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  2  0  0  0  0
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  7 18  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 10  1  0  0  0  0
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 23 14  1  0  0  0  0
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 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
 27  8  1  0  0  0  0
 28 11  1  0  0  0  0
 29  9  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
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 33 26  1  0  0  0  0
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  5  3  1  0  0  0  0
 35 29  2  0  0  0  0
 19  7  1  0  0  0  0
 20 13  2  0  0  0  0
 23 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,016)
1039

>  <Formula> (1,016)
C28H26ClN3O3

>  <MolWeight> (1,016)
487.97734

>  <Cat> (1,016)
P3397

>  <Name> (1,016)
WAY-349807

>  <Synonyms> (1,016)
N/A

>  <Target> (1,016)
Pim-1

>  <Form> (1,016)
free base

>  <CAS> (1,016)
544662-95-5

>  <URL> (1,016)
N/A

$$$$
WAY-349858
csChFnd80/09261916562D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.6625   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6167   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2792   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0750   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0417   -9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4542   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542  -10.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 16 18  2  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,017)
1040

>  <Formula> (1,017)
C15H16N2O4S

>  <MolWeight> (1,017)
320.36354

>  <Cat> (1,017)
P3398

>  <Name> (1,017)
WAY-349858

>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
c-Jun N-terminal kinase

>  <Form> (1,017)
free base

>  <CAS> (1,017)
771503-50-5

>  <URL> (1,017)
N/A

$$$$
WAY-350732
csChFnd80/09261916562D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.5167   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -5.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9542   -8.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1167   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,018)
1041

>  <Formula> (1,018)
C13H11BrN2O2S

>  <MolWeight> (1,018)
339.20764

>  <Cat> (1,018)
P3399

>  <Name> (1,018)
WAY-350732

>  <Synonyms> (1,018)
N/A

>  <Target> (1,018)
c-Jun N-terminal kinase

>  <Form> (1,018)
free base

>  <CAS> (1,018)
438602-71-2

>  <URL> (1,018)
N/A

$$$$
WAY-351429
csChFnd80/09261916562D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.5917   -5.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3667   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3417   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -7.6292    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  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,019)
1042

>  <Formula> (1,019)
C21H23N3O4

>  <MolWeight> (1,019)
381.42502

>  <Cat> (1,019)
P3400

>  <Name> (1,019)
WAY-351429

>  <Synonyms> (1,019)
N/A

>  <Target> (1,019)
choline kinase

>  <Form> (1,019)
free base

>  <CAS> (1,019)
451474-95-6

>  <URL> (1,019)
N/A

$$$$
WAY-351812
csChFnd80/09261916562D

 25 26  0  0  0  0  0  0  0  0999 V2000
   14.7417   -8.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -9.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8667   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2375   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6875  -10.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -8.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8000   -6.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9875   -6.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3542   -5.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5000   -3.6750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6125   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917   -6.2500    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  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
  6  5  1  0  0  0  0
  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,020)
1044

>  <Formula> (1,020)
C15H14F3N3O3S

>  <MolWeight> (1,020)
373.3501696

>  <Cat> (1,020)
P3402

>  <Name> (1,020)
WAY-351812

>  <Synonyms> (1,020)
N/A

>  <Target> (1,020)
CDK8

>  <Form> (1,020)
free base

>  <CAS> (1,020)
471289-61-9

>  <URL> (1,020)
N/A

$$$$
WAY-352098
csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.6792   -4.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6792   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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PDK1,CRTH2

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free base

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482643-39-0

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N/A

$$$$
WAY-352753
csChFnd80/09261916562D

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303.7667

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WAY-352753

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N/A

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GSK-3

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free base

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478482-74-5

>  <URL> (1,022)
N/A

$$$$
WAY-353591
csChFnd80/09261916562D

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1047

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P3406

>  <Name> (1,023)
WAY-353591

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
Casein kinase 1d

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free base

>  <CAS> (1,023)
454427-09-9

>  <URL> (1,023)
N/A

$$$$
WAY-353890
csChFnd80/09261916562D

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1048

>  <Formula> (1,024)
C17H13FN4O

>  <MolWeight> (1,024)
308.3097232

>  <Cat> (1,024)
P3407

>  <Name> (1,024)
WAY-353890

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
FGFR1

>  <Form> (1,024)
free base

>  <CAS> (1,024)
459137-97-4

>  <URL> (1,024)
N/A

$$$$
WAY-354189
csChFnd80/09261916562D

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1049

>  <Formula> (1,025)
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>  <MolWeight> (1,025)
387.23778

>  <Cat> (1,025)
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>  <Name> (1,025)
WAY-354189

>  <Synonyms> (1,025)
N/A

>  <Target> (1,025)
JAK-STAT

>  <Form> (1,025)
free base

>  <CAS> (1,025)
850019-35-1

>  <URL> (1,025)
N/A

$$$$
GI-570261
csChFnd80/09261916562D

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 15 23  1  0  0  0  0
 19 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
  7  9  1  0  0  0  0
 18 21  1  0  0  0  0
 20 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,026)
1050

>  <Formula> (1,026)
C22H19N5O3S

>  <MolWeight> (1,026)
433.48296

>  <Cat> (1,026)
P3261

>  <Name> (1,026)
GI-570261

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,026)
free base

>  <CAS> (1,026)
301357-76-6

>  <URL> (1,026)
N/A

$$$$
WAY-352835
csChFnd80/09261916562D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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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
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 16 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 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> (1,027)
1051

>  <Formula> (1,027)
C16H15N3OS

>  <MolWeight> (1,027)
297.3748

>  <Cat> (1,027)
P3405

>  <Name> (1,027)
WAY-352835

>  <Synonyms> (1,027)
N/A

>  <Target> (1,027)
tyrosine kinase

>  <Form> (1,027)
free base

>  <CAS> (1,027)
401638-52-6

>  <URL> (1,027)
N/A

$$$$
WAY-354831
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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  4  1  1  0  0  0  0
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  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 17 20  2  0  0  0  0
 18 16  2  0  0  0  0
 19 14  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
  6  2  1  0  0  0  0
 12 18  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,028)
1052

>  <Formula> (1,028)
C15H10FN3O3

>  <MolWeight> (1,028)
299.2566032

>  <Cat> (1,028)
P3409

>  <Name> (1,028)
WAY-354831

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
c-Met 

>  <Form> (1,028)
free base

>  <CAS> (1,028)
330572-32-2

>  <URL> (1,028)
N/A

$$$$
WAY-354890
csChFnd80/09261916562D

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.8167   -9.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 18  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
  4  5  2  0  0  0  0
  8  6  2  0  0  0  0
 21 22  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,029)
1053

>  <Formula> (1,029)
C17H16FN3S

>  <MolWeight> (1,029)
313.3924432

>  <Cat> (1,029)
P3410

>  <Name> (1,029)
WAY-354890

>  <Synonyms> (1,029)
N/A

>  <Target> (1,029)
EGFR 

>  <Form> (1,029)
free base

>  <CAS> (1,029)
852407-49-9

>  <URL> (1,029)
N/A

$$$$
WAY-355772
csChFnd80/09261916562D

 29 32  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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12 19  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 25  2  0  0  0  0
 20  3  2  0  0  0  0
 21  4  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 21  2  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 14  2  0  0  0  0
  4  5  2  0  0  0  0
 14 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,030)
1054

>  <Formula> (1,030)
C19H13F3N2O4S

>  <MolWeight> (1,030)
422.3777296

>  <Cat> (1,030)
P3411

>  <Name> (1,030)
WAY-355772

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
serine/threonine kinase

>  <Form> (1,030)
free base

>  <CAS> (1,030)
442658-33-5

>  <URL> (1,030)
N/A

$$$$
WAY-357919
csChFnd80/09261916562D

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  6  4  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,031)
1055

>  <Formula> (1,031)
C18H16N2O2S

>  <MolWeight> (1,031)
324.39684

>  <Cat> (1,031)
P3412

>  <Name> (1,031)
WAY-357919

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
VEGFR

>  <Form> (1,031)
free base

>  <CAS> (1,031)
298207-77-9

>  <URL> (1,031)
N/A

$$$$
WAY-358024
csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
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 20 16  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,032)
1056

>  <Formula> (1,032)
C15H11N3O3

>  <MolWeight> (1,032)
281.26614

>  <Cat> (1,032)
P3413

>  <Name> (1,032)
WAY-358024

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
GSK-3b

>  <Form> (1,032)
free base

>  <CAS> (1,032)
70169-39-0

>  <URL> (1,032)
N/A

$$$$
WAY-358667-A
csChFnd80/09261916562D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,033)
1057

>  <Formula> (1,033)
C12H8N2S2

>  <MolWeight> (1,033)
244.33532

>  <Cat> (1,033)
P3414

>  <Name> (1,033)
WAY-358667-A

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
Human protein kinase CK2

>  <Form> (1,033)
free base

>  <CAS> (1,033)
182198-89-6

>  <URL> (1,033)
N/A

$$$$
WAY-358981
csChFnd80/09261916562D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  0  0  0  0
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  3  5  2  0  0  0  0
 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,034)
1058

>  <Formula> (1,034)
C14H12N4O

>  <MolWeight> (1,034)
252.27128

>  <Cat> (1,034)
P3415

>  <Name> (1,034)
WAY-358981

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
sphingosine kinase

>  <Form> (1,034)
free base

>  <CAS> (1,034)
307322-32-3

>  <URL> (1,034)
N/A

$$$$
WAY-359594
csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
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 13  2  1  0  0  0  0
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 10  4  2  0  0  0  0
 20 25  1  0  0  0  0
 27 21  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,035)
1059

>  <Formula> (1,035)
C23H21N3O2

>  <MolWeight> (1,035)
371.43174

>  <Cat> (1,035)
P3416

>  <Name> (1,035)
WAY-359594

>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
G protein coupled receptor 6 kinase

>  <Form> (1,035)
free base

>  <CAS> (1,035)
33495-39-5

>  <URL> (1,035)
N/A

$$$$
WAY-381785
csChFnd80/09261916562D

 24 27  0  0  0  0  0  0  0  0999 V2000
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WAY-381785

>  <Synonyms> (1,036)
N/A

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GSK3

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free base

>  <CAS> (1,036)
511239-29-5

>  <URL> (1,036)
N/A

$$$$
WAY-313201
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,037)
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>  <Name> (1,037)
WAY-313201

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
 GSK-3b

>  <Form> (1,037)
free base

>  <CAS> (1,037)
571904-77-3

>  <URL> (1,037)
N/A

$$$$
WAY-311972
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,038)
1062

>  <Formula> (1,038)
C21H18BrN3O3

>  <MolWeight> (1,038)
440.28992

>  <Cat> (1,038)
P3315

>  <Name> (1,038)
WAY-311972

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
ATP-kinases

>  <Form> (1,038)
free base

>  <CAS> (1,038)
606948-76-9

>  <URL> (1,038)
N/A

$$$$
WAY-113178
csChFnd80/09261916562D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,039)
1063

>  <Formula> (1,039)
C21H17N3O3S

>  <MolWeight> (1,039)
391.44298

>  <Cat> (1,039)
P3263

>  <Name> (1,039)
WAY-113178

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
IkB kinase-beta 

>  <Form> (1,039)
free base

>  <CAS> (1,039)
638999-98-1

>  <URL> (1,039)
N/A

$$$$
WAY-344977
csChFnd80/09261916562D

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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
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 14  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,040)
1066

>  <Formula> (1,040)
C17H17ClN4O2S

>  <MolWeight> (1,040)
376.86048

>  <Cat> (1,040)
P3389

>  <Name> (1,040)
WAY-344977

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
GSK-3

>  <Form> (1,040)
free base

>  <CAS> (1,040)
686743-57-7

>  <URL> (1,040)
N/A

$$$$
WAY-310507
csChFnd80/09261916562D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Name> (1,041)
WAY-310507

>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
Anti-infection

>  <Form> (1,041)
free base

>  <CAS> (1,041)
686743-93-1

>  <URL> (1,041)
N/A

$$$$
WAY-310944
csChFnd80/09261916562D

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>  <Mol_ID> (1,042)
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P3313

>  <Name> (1,042)
WAY-310944

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
Anti-infection

>  <Form> (1,042)
free base

>  <CAS> (1,042)
688335-53-7

>  <URL> (1,042)
N/A

$$$$
WAY-310334
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,043)
1069

>  <Formula> (1,043)
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>  <MolWeight> (1,043)
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>  <Cat> (1,043)
P3310

>  <Name> (1,043)
WAY-310334

>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
mPGES-1,human protein kinase CK2

>  <Form> (1,043)
free base

>  <CAS> (1,043)
688335-72-0

>  <URL> (1,043)
N/A

$$$$
WAY-310819
csChFnd80/09261916562D

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>  <Mol_ID> (1,044)
1070

>  <Formula> (1,044)
C15H14BrN5O3S

>  <MolWeight> (1,044)
424.27236

>  <Cat> (1,044)
P3312

>  <Name> (1,044)
WAY-310819

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
B-Raf

>  <Form> (1,044)
free base

>  <CAS> (1,044)
326918-98-3

>  <URL> (1,044)
N/A

$$$$
CL-59089
csChFnd80/09261916562D

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>  <Mol_ID> (1,045)
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>  <Formula> (1,045)
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>  <MolWeight> (1,045)
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>  <Cat> (1,045)
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>  <Name> (1,045)
CL-59089

>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
sirtuin,Rho,CDK

>  <Form> (1,045)
free base

>  <CAS> (1,045)
3008-61-5

>  <URL> (1,045)
N/A

$$$$
WAY-616312
csChFnd80/09261916562D

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>  <Name> (1,046)
WAY-616312

>  <Synonyms> (1,046)
N/A

>  <Target> (1,046)
sirtuin,Rho,CDK

>  <Form> (1,046)
free base

>  <CAS> (1,046)
730946-98-2

>  <URL> (1,046)
N/A

$$$$
WAY-624687
csChFnd80/09261916562D

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 15 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,047)
1073

>  <Formula> (1,047)
C13H9N5S2

>  <MolWeight> (1,047)
299.37406

>  <Cat> (1,047)
P3465

>  <Name> (1,047)
WAY-624687

>  <Synonyms> (1,047)
N/A

>  <Target> (1,047)
GSK3

>  <Form> (1,047)
free base

>  <CAS> (1,047)
753473-65-3

>  <URL> (1,047)
N/A

$$$$
WAY-330162
csChFnd80/09261916562D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
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 18  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,048)
1074

>  <Formula> (1,048)
C22H26N2O5S

>  <MolWeight> (1,048)
430.51724

>  <Cat> (1,048)
P3377

>  <Name> (1,048)
WAY-330162

>  <Synonyms> (1,048)
N/A

>  <Target> (1,048)
Kinase

>  <Form> (1,048)
free base

>  <CAS> (1,048)
868963-46-6

>  <URL> (1,048)
N/A

$$$$
WAY-333883
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
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 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 19  2  0  0  0  0
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M  END
>  <Mol_ID> (1,049)
1075

>  <Formula> (1,049)
C16H16Cl2N4O

>  <MolWeight> (1,049)
351.23044

>  <Cat> (1,049)
P3382

>  <Name> (1,049)
WAY-333883

>  <Synonyms> (1,049)
N/A

>  <Target> (1,049)
pyruvate kinase

>  <Form> (1,049)
free base

>  <CAS> (1,049)
863448-35-5

>  <URL> (1,049)
N/A

$$$$
WAY-333875
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
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 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
  7 10  2  0  0  0  0
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 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,050)
1076

>  <Formula> (1,050)
C16H16ClFN4O

>  <MolWeight> (1,050)
334.7758432

>  <Cat> (1,050)
P3380

>  <Name> (1,050)
WAY-333875

>  <Synonyms> (1,050)
N/A

>  <Target> (1,050)
pyruvate kinase

>  <Form> (1,050)
free base

>  <CAS> (1,050)
863448-22-0

>  <URL> (1,050)
N/A

$$$$
WAY-333878
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
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 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  7  9  2  0  0  0  0
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 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,051)
1077

>  <Formula> (1,051)
C18H22N4O

>  <MolWeight> (1,051)
310.39348

>  <Cat> (1,051)
P3381

>  <Name> (1,051)
WAY-333878

>  <Synonyms> (1,051)
N/A

>  <Target> (1,051)
pyruvate kinase

>  <Form> (1,051)
free base

>  <CAS> (1,051)
863448-25-3

>  <URL> (1,051)
N/A

$$$$
WAY-329412
csChFnd80/09261916562D

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>  <Mol_ID> (1,052)
1078

>  <Formula> (1,052)
C27H25N3O3

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439.5057

>  <Cat> (1,052)
P3365

>  <Name> (1,052)
WAY-329412

>  <Synonyms> (1,052)
N/A

>  <Target> (1,052)
Abl

>  <Form> (1,052)
free base

>  <CAS> (1,052)
943932-69-2

>  <URL> (1,052)
N/A

$$$$
WAY-329689
csChFnd80/09261916562D

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1079

>  <Formula> (1,053)
C29H29N3O4

>  <MolWeight> (1,053)
483.55826

>  <Cat> (1,053)
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>  <Name> (1,053)
WAY-329689

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
Abl

>  <Form> (1,053)
free base

>  <CAS> (1,053)
943934-76-7

>  <URL> (1,053)
N/A

$$$$
WAY-329424
csChFnd80/09261916562D

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>  <Formula> (1,054)
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>  <MolWeight> (1,054)
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>  <Cat> (1,054)
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>  <Name> (1,054)
WAY-329424

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
Abl

>  <Form> (1,054)
free base

>  <CAS> (1,054)
943933-52-6

>  <URL> (1,054)
N/A

$$$$
WAY-329686
csChFnd80/09261916562D

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N/A

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WAY-329410
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Abl

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free base

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943932-62-5

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N/A

$$$$
WAY-329685
csChFnd80/09261916562D

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>  <Synonyms> (1,057)
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Abl

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free base

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943934-25-6

>  <URL> (1,057)
N/A

$$$$
WAY-329423
csChFnd80/09261916562D

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>  <Synonyms> (1,058)
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free base

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>  <URL> (1,058)
N/A

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WAY-329356
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WAY-329341
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free base

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N/A

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WAY-329340
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WAY-641918
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free base

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850467-77-5

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WAY-278459-A
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free base

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N/A

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WAY-278559-A
csChFnd80/09261916562D

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  1  2  2  0  0  0  0
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  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
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 20 21  1  0  0  0  0
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  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,064)
1091

>  <Formula> (1,064)
C17H23N3O

>  <MolWeight> (1,064)
285.38402

>  <Cat> (1,064)
P3294

>  <Name> (1,064)
WAY-278559-A

>  <Synonyms> (1,064)
N/A

>  <Target> (1,064)
ethanolamine kinase

>  <Form> (1,064)
free base

>  <CAS> (1,064)
301330-81-4

>  <URL> (1,064)
N/A

$$$$
WAY-642481
csChFnd80/09261916562D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  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> (1,065)
1092

>  <Formula> (1,065)
C17H16N2OS

>  <MolWeight> (1,065)
296.38674

>  <Cat> (1,065)
P3501

>  <Name> (1,065)
WAY-642481

>  <Synonyms> (1,065)
N/A

>  <Target> (1,065)
CDK

>  <Form> (1,065)
free base

>  <CAS> (1,065)
22312-45-4

>  <URL> (1,065)
N/A

$$$$
WAY-643632-A
csChFnd80/09261916562D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7917    0.7208    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
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  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> (1,066)
1093

>  <Formula> (1,066)
C11H14N2O2

>  <MolWeight> (1,066)
206.24106

>  <Cat> (1,066)
P3502

>  <Name> (1,066)
WAY-643632-A

>  <Synonyms> (1,066)
N/A

>  <Target> (1,066)
SRC kinase,TTX-S channel

>  <Form> (1,066)
free base

>  <CAS> (1,066)
500356-88-7

>  <URL> (1,066)
N/A

$$$$
WAY-616763
csChFnd80/09261916562D

 28 30  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  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  5  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  2  0  0  0  0
 21 24  2  0  0  0  0
 22 26  2  0  0  0  0
 23 12  1  0  0  0  0
 24 17  1  0  0  0  0
 25 14  1  0  0  0  0
 26 20  1  0  0  0  0
 27 19  2  0  0  0  0
 28  9  1  0  0  0  0
 27 22  1  0  0  0  0
  9  6  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,067)
1094

>  <Formula> (1,067)
C18H15Cl2N3O4S

>  <MolWeight> (1,067)
440.3004

>  <Cat> (1,067)
P3456

>  <Name> (1,067)
WAY-616763

>  <Synonyms> (1,067)
N/A

>  <Target> (1,067)
Anti-infection

>  <Form> (1,067)
free base

>  <CAS> (1,067)
735303-62-5

>  <URL> (1,067)
N/A

$$$$
WAY-641966
csChFnd80/09261916562D

 24 27  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  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  2  0  0  0  0
 21 13  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  2  0  0  0  0
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  5  6  1  0  0  0  0
 24 23  1  0  0  0  0
 20 21  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,068)
1095

>  <Formula> (1,068)
C20H16N4

>  <MolWeight> (1,068)
312.36784

>  <Cat> (1,068)
P3499

>  <Name> (1,068)
WAY-641966

>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
TGF-¦Â,p38-¦Á

>  <Form> (1,068)
free base

>  <CAS> (1,068)
259870-32-1

>  <URL> (1,068)
N/A

$$$$
WAY-642424
csChFnd80/09261916562D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
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 21 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,069)
1096

>  <Formula> (1,069)
C19H14FN5OS

>  <MolWeight> (1,069)
379.4107632

>  <Cat> (1,069)
P3500

>  <Name> (1,069)
WAY-642424

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
Casein kinase 1¦Ä

>  <Form> (1,069)
free base

>  <CAS> (1,069)
851396-73-1

>  <URL> (1,069)
N/A

$$$$
WAY-329592
csChFnd80/09261916562D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
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 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
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 21 24  1  0  0  0  0
 22  7  2  0  0  0  0
 23 10  2  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
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 27  6  1  0  0  0  0
 28  7  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  1  0  0  0  0
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 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,070)
1097

>  <Formula> (1,070)
C22H25BrN2O4S

>  <MolWeight> (1,070)
493.4139

>  <Cat> (1,070)
P3368

>  <Name> (1,070)
WAY-329592

>  <Synonyms> (1,070)
N/A

>  <Target> (1,070)
tyrosine kinase

>  <Form> (1,070)
free base

>  <CAS> (1,070)
868963-53-5

>  <URL> (1,070)
N/A

$$$$
WAY-333939
csChFnd80/09261916562D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
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 26 24  1  0  0  0  0
  4  3  1  0  0  0  0
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 20 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,071)
1098

>  <Formula> (1,071)
C19H21N5O2

>  <MolWeight> (1,071)
351.40234

>  <Cat> (1,071)
P3384

>  <Name> (1,071)
WAY-333939

>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
Anti-infection

>  <Form> (1,071)
free base

>  <CAS> (1,071)
689268-14-2

>  <URL> (1,071)
N/A

$$$$
WAY-333908
csChFnd80/09261916562D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 14 10  2  0  0  0  0
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  4  3  1  0  0  0  0
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 25 24  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,072)
1099

>  <Formula> (1,072)
C17H12N6O2

>  <MolWeight> (1,072)
332.31618

>  <Cat> (1,072)
P3383

>  <Name> (1,072)
WAY-333908

>  <Synonyms> (1,072)
N/A

>  <Target> (1,072)
others

>  <Form> (1,072)
free base

>  <CAS> (1,072)
689269-24-7

>  <URL> (1,072)
N/A

$$$$
WAY-333945
csChFnd80/09261916562D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,073)
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>  <Formula> (1,073)
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351.38242

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>  <Name> (1,073)
WAY-333945

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
Anti-infection

>  <Form> (1,073)
free base

>  <CAS> (1,073)
689273-45-8

>  <URL> (1,073)
N/A

$$$$
WAY-616584
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,074)
1101

>  <Formula> (1,074)
C16H13N3O2S

>  <MolWeight> (1,074)
311.35832

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P3455

>  <Name> (1,074)
WAY-616584

>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
Casein kinase 1¦Ä

>  <Form> (1,074)
free base

>  <CAS> (1,074)
695223-53-1

>  <URL> (1,074)
N/A

$$$$
WAY-625530
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,075)
1102

>  <Formula> (1,075)
C22H18ClFN2O3

>  <MolWeight> (1,075)
412.8413232

>  <Cat> (1,075)
P3466

>  <Name> (1,075)
WAY-625530

>  <Synonyms> (1,075)
N/A

>  <Target> (1,075)
FGFR1

>  <Form> (1,075)
free base

>  <CAS> (1,075)
956782-57-3

>  <URL> (1,075)
N/A

$$$$
WAY-625741
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,076)
1103

>  <Formula> (1,076)
C16H13N3O4S

>  <MolWeight> (1,076)
343.35712

>  <Cat> (1,076)
P3467

>  <Name> (1,076)
WAY-625741

>  <Synonyms> (1,076)
N/A

>  <Target> (1,076)
Casein kinase 1d

>  <Form> (1,076)
free base

>  <CAS> (1,076)
756857-71-3

>  <URL> (1,076)
N/A

$$$$
WAY-626116
csChFnd80/09261916562D

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>  <Mol_ID> (1,077)
1104

>  <Formula> (1,077)
C20H14FN3O4S2

>  <MolWeight> (1,077)
443.4712632

>  <Cat> (1,077)
P3468

>  <Name> (1,077)
WAY-626116

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
Casein kinase 1d

>  <Form> (1,077)
free base

>  <CAS> (1,077)
753468-25-6

>  <URL> (1,077)
N/A

$$$$
WAY-273170
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,078)
1105

>  <Formula> (1,078)
C19H13ClN4O2S

>  <MolWeight> (1,078)
396.85012

>  <Cat> (1,078)
P3289

>  <Name> (1,078)
WAY-273170

>  <Synonyms> (1,078)
N/A

>  <Target> (1,078)
Myt1

>  <Form> (1,078)
free base

>  <CAS> (1,078)
478247-52-8

>  <URL> (1,078)
N/A

$$$$
WAY-277054
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,079)
1106

>  <Formula> (1,079)
C16H11ClFN3OS2

>  <MolWeight> (1,079)
379.8594432

>  <Cat> (1,079)
P3290

>  <Name> (1,079)
WAY-277054

>  <Synonyms> (1,079)
N/A

>  <Target> (1,079)
tyrosine kinase

>  <Form> (1,079)
free base

>  <CAS> (1,079)
753467-39-9?

>  <URL> (1,079)
N/A

$$$$
WAY-336715
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,080)
1107

>  <Formula> (1,080)
C21H20N4OS

>  <MolWeight> (1,080)
376.4747

>  <Cat> (1,080)
P3386

>  <Name> (1,080)
WAY-336715

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
CDK8

>  <Form> (1,080)
free base

>  <CAS> (1,080)
451458-32-5

>  <URL> (1,080)
N/A

$$$$
WAY-337647
csChFnd80/09261916562D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,081)
1108

>  <Formula> (1,081)
C15H12ClNO4

>  <MolWeight> (1,081)
305.71308

>  <Cat> (1,081)
P3387

>  <Name> (1,081)
WAY-337647

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,081)
free base

>  <CAS> (1,081)
1402605-80-4

>  <URL> (1,081)
N/A

$$$$
WAY-612453
csChFnd80/09261916562D

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>  <Mol_ID> (1,082)
1109

>  <Formula> (1,082)
C9H8Cl2N4S

>  <MolWeight> (1,082)
275.15762

>  <Cat> (1,082)
P3446

>  <Name> (1,082)
WAY-612453

>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
Anti-infection

>  <Form> (1,082)
free base

>  <CAS> (1,082)
300809-10-3

>  <URL> (1,082)
N/A

$$$$
WAY-612622
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,083)
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>  <Name> (1,083)
WAY-612622

>  <Synonyms> (1,083)
N/A

>  <Target> (1,083)
CDK

>  <Form> (1,083)
free base

>  <CAS> (1,083)
288401-60-5

>  <URL> (1,083)
N/A

$$$$
WAY-612698
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,084)
1111

>  <Formula> (1,084)
C17H19NO4S

>  <MolWeight> (1,084)
333.40206

>  <Cat> (1,084)
P3448

>  <Name> (1,084)
WAY-612698

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,084)
free base

>  <CAS> (1,084)
565191-45-9

>  <URL> (1,084)
N/A

$$$$
WAY-612763
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,085)
1112

>  <Formula> (1,085)
C21H15ClF3N3O5

>  <MolWeight> (1,085)
481.8091096

>  <Cat> (1,085)
P3449

>  <Name> (1,085)
WAY-612763

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
YycG histidine kinase

>  <Form> (1,085)
free base

>  <CAS> (1,085)
479060-67-8

>  <URL> (1,085)
N/A

$$$$
WAY-630308
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,086)
1113

>  <Formula> (1,086)
C16H21N3O3

>  <MolWeight> (1,086)
303.35624

>  <Cat> (1,086)
P3469

>  <Name> (1,086)
WAY-630308

>  <Synonyms> (1,086)
N/A

>  <Target> (1,086)
Casein kinase 1¦Ä

>  <Form> (1,086)
free base

>  <CAS> (1,086)
326034-30-4

>  <URL> (1,086)
N/A

$$$$
WAY-630363
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,087)
1114

>  <Formula> (1,087)
C19H15N3O3S

>  <MolWeight> (1,087)
365.4057

>  <Cat> (1,087)
P3470

>  <Name> (1,087)
WAY-630363

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
Casein kinase 1¦Ä

>  <Form> (1,087)
free base

>  <CAS> (1,087)
729579-66-2

>  <URL> (1,087)
N/A

$$$$
WAY-647361
csChFnd80/09261916562D

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>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
 PI3K

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free base

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852399-94-1

>  <URL> (1,088)
N/A

$$$$
WAY-647636
csChFnd80/09261916562D

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P3505

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WAY-647636

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
Casein kinase 1¦Ä

>  <Form> (1,089)
free base

>  <CAS> (1,089)
556055-08-4

>  <URL> (1,089)
N/A

$$$$
WAY-647729
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,090)
1117

>  <Formula> (1,090)
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>  <MolWeight> (1,090)
293.34304

>  <Cat> (1,090)
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>  <Name> (1,090)
WAY-647729

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
CDK

>  <Form> (1,090)
free base

>  <CAS> (1,090)
852678-17-2

>  <URL> (1,090)
N/A

$$$$
WAY-647766
csChFnd80/09261916562D

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>  <Mol_ID> (1,091)
1118

>  <Formula> (1,091)
C16H12N6S

>  <MolWeight> (1,091)
320.37168

>  <Cat> (1,091)
P3507

>  <Name> (1,091)
WAY-647766

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
Casein kinase 1¦Ä

>  <Form> (1,091)
free base

>  <CAS> (1,091)
851168-98-4

>  <URL> (1,091)
N/A

$$$$
WAY-647802
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,092)
1119

>  <Formula> (1,092)
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>  <MolWeight> (1,092)
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>  <Cat> (1,092)
P3508

>  <Name> (1,092)
WAY-647802

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
EGFR,CDK4 and 6

>  <Form> (1,092)
free base

>  <CAS> (1,092)
852225-20-8

>  <URL> (1,092)
N/A

$$$$
WAY-648936
csChFnd80/09261916562D

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>  <Mol_ID> (1,093)
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>  <Formula> (1,093)
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>  <Synonyms> (1,093)
N/A

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CDK

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free base

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796888-73-8

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N/A

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WAY-649123
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TGF-¦Â,p38-a

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free base

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801244-46-2

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N/A

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WL-300778
csChFnd80/09261916562D

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free base

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802980-14-9

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N/A

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CL-104773
csChFnd80/09261916562D

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CL-104773

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free base

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802980-92-3

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N/A

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WAY-269040
csChFnd80/09261916562D

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1124

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N/A

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Anti-infection

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free base

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846065-09-6

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N/A

$$$$
WAY-339696
csChFnd80/09261916562D

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1125

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>  <Synonyms> (1,098)
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333419-97-9

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N/A

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WAY-349290
csChFnd80/09261916562D

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>  <Mol_ID> (1,099)
1126

>  <Formula> (1,099)
C12H7ClN2OS

>  <MolWeight> (1,099)
262.71478

>  <Cat> (1,099)
P3396

>  <Name> (1,099)
WAY-349290

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
Pim,MCH receptor

>  <Form> (1,099)
free base

>  <CAS> (1,099)
215928-66-8

>  <URL> (1,099)
N/A

$$$$
WAY-613473
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,100)
1127

>  <Formula> (1,100)
C20H16N4O3S

>  <MolWeight> (1,100)
392.43104

>  <Cat> (1,100)
P3450

>  <Name> (1,100)
WAY-613473

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
HIV,JAK-2,PI3K

>  <Form> (1,100)
free base

>  <CAS> (1,100)
301357-74-4

>  <URL> (1,100)
N/A

$$$$
WAY-613991
csChFnd80/09261916562D

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>  <Mol_ID> (1,101)
1128

>  <Formula> (1,101)
C23H17N3O4

>  <MolWeight> (1,101)
399.39878

>  <Cat> (1,101)
P3451

>  <Name> (1,101)
WAY-613991

>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
Casein kinase 1d

>  <Form> (1,101)
free base

>  <CAS> (1,101)
565167-37-5

>  <URL> (1,101)
N/A

$$$$
WAY-630998
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,102)
1129

>  <Formula> (1,102)
C21H22N4O

>  <MolWeight> (1,102)
346.42558

>  <Cat> (1,102)
P3471

>  <Name> (1,102)
WAY-630998

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
p38a

>  <Form> (1,102)
free base

>  <CAS> (1,102)
251106-30-6

>  <URL> (1,102)
N/A

$$$$
WAY-631127
csChFnd80/09261916562D

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>  <Mol_ID> (1,103)
1130

>  <Formula> (1,103)
C24H18ClN3O3

>  <MolWeight> (1,103)
431.87102

>  <Cat> (1,103)
P3472

>  <Name> (1,103)
WAY-631127

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
Casein kinase 1¦Ä

>  <Form> (1,103)
free base

>  <CAS> (1,103)
756849-12-4

>  <URL> (1,103)
N/A

$$$$
WAY-631545
csChFnd80/09261916562D

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M  END
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WAY-631545

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
others

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free base

>  <CAS> (1,104)
681260-56-0

>  <URL> (1,104)
N/A

$$$$
WAY-632021
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,105)
1132

>  <Formula> (1,105)
C13H10ClN3S

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275.7566

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>  <Name> (1,105)
WAY-632021

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,105)
free base

>  <CAS> (1,105)
742094-64-0

>  <URL> (1,105)
N/A

$$$$
WAY-632323
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,106)
1133

>  <Formula> (1,106)
C18H15N5S2

>  <MolWeight> (1,106)
365.4752

>  <Cat> (1,106)
P3475

>  <Name> (1,106)
WAY-632323

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
Casein kinase 1¦Ä

>  <Form> (1,106)
free base

>  <CAS> (1,106)
782457-22-1

>  <URL> (1,106)
N/A

$$$$
WAY-650313
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,107)
1134

>  <Formula> (1,107)
C23H18FN3O

>  <MolWeight> (1,107)
371.4069232

>  <Cat> (1,107)
P3511

>  <Name> (1,107)
WAY-650313

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
Casein kinase 1¦Ä

>  <Form> (1,107)
free base

>  <CAS> (1,107)
847772-08-1

>  <URL> (1,107)
N/A

$$$$
WAY-650886
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,108)
1135

>  <Formula> (1,108)
C19H16N4O2

>  <MolWeight> (1,108)
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>  <Cat> (1,108)
P3512

>  <Name> (1,108)
WAY-650886

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
Casein kinase 1¦Ä

>  <Form> (1,108)
free base

>  <CAS> (1,108)
848066-61-5

>  <URL> (1,108)
N/A

$$$$
WAY-651445
csChFnd80/09261916562D

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>  <Mol_ID> (1,109)
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335.37972

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P3513

>  <Name> (1,109)
WAY-651445

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
LIMK1£¬IkB

>  <Form> (1,109)
free base

>  <CAS> (1,109)
848289-47-4

>  <URL> (1,109)
N/A

$$$$
GI-555736
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,110)
1137

>  <Formula> (1,110)
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>  <MolWeight> (1,110)
208.25848

>  <Cat> (1,110)
P3257

>  <Name> (1,110)
GI-555736

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
PDGFR

>  <Form> (1,110)
free base

>  <CAS> (1,110)
848342-16-5

>  <URL> (1,110)
N/A

$$$$
WAY-270318
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,111)
1138

>  <Formula> (1,111)
C14H14N4OS

>  <MolWeight> (1,111)
286.35216

>  <Cat> (1,111)
P3272

>  <Name> (1,111)
WAY-270318

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
protein kinase

>  <Form> (1,111)
free base

>  <CAS> (1,111)
721964-48-3

>  <URL> (1,111)
N/A

$$$$
WAY-270329
csChFnd80/09261916562D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,112)
1139

>  <Formula> (1,112)
C21H18FN5O2S

>  <MolWeight> (1,112)
423.4633232

>  <Cat> (1,112)
P3273

>  <Name> (1,112)
WAY-270329

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
protein kinase

>  <Form> (1,112)
free base

>  <CAS> (1,112)
721964-51-8

>  <URL> (1,112)
N/A

$$$$
WAY-270382
csChFnd80/09261916562D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,113)
1140

>  <Formula> (1,113)
C16H10N2O3S2

>  <MolWeight> (1,113)
342.3922

>  <Cat> (1,113)
P3274

>  <Name> (1,113)
WAY-270382

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
Metallo-b-lactamase,ASK1

>  <Form> (1,113)
free base

>  <CAS> (1,113)
1427537-93-6

>  <URL> (1,113)
N/A

$$$$
WAY-270444
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Synonyms> (1,114)
N/A

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free base

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394237-61-7

>  <URL> (1,114)
N/A

$$$$
WAY-270599
csChFnd80/09261916562D

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1142

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374.79824

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P3276

>  <Name> (1,115)
WAY-270599

>  <Synonyms> (1,115)
N/A

>  <Target> (1,115)
FGFR1,TNFa

>  <Form> (1,115)
free base

>  <CAS> (1,115)
397281-20-8

>  <URL> (1,115)
N/A

$$$$
WAY-270947
csChFnd80/09261916562D

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1143

>  <Formula> (1,116)
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>  <MolWeight> (1,116)
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>  <Cat> (1,116)
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>  <Name> (1,116)
WAY-270947

>  <Synonyms> (1,116)
N/A

>  <Target> (1,116)
ALK5

>  <Form> (1,116)
free base

>  <CAS> (1,116)
1198579-20-2

>  <URL> (1,116)
N/A

$$$$
WAY-270966
csChFnd80/09261916562D

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>  <Formula> (1,117)
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>  <MolWeight> (1,117)
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>  <Cat> (1,117)
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>  <Name> (1,117)
WAY-270966

>  <Synonyms> (1,117)
N/A

>  <Target> (1,117)
p38

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free base

>  <CAS> (1,117)
421578-44-1

>  <URL> (1,117)
N/A

$$$$
WAY-270968
csChFnd80/09261916562D

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1145

>  <Formula> (1,118)
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>  <MolWeight> (1,118)
332.4156232

>  <Cat> (1,118)
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>  <Name> (1,118)
WAY-270968

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
p38

>  <Form> (1,118)
free base

>  <CAS> (1,118)
421578-46-3

>  <URL> (1,118)
N/A

$$$$
WAY-271147
csChFnd80/09261916562D

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>  <Mol_ID> (1,119)
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C17H12N2O4

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WAY-271147

>  <Synonyms> (1,119)
N/A

>  <Target> (1,119)
VEGFR

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free base

>  <CAS> (1,119)
683235-34-9

>  <URL> (1,119)
N/A

$$$$
WAY-600632
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,120)
1148

>  <Formula> (1,120)
C14H9N3O2S2

>  <MolWeight> (1,120)
315.37016

>  <Cat> (1,120)
P3423

>  <Name> (1,120)
WAY-600632

>  <Synonyms> (1,120)
N/A

>  <Target> (1,120)
Casein kinase 1¦Ä

>  <Form> (1,120)
free base

>  <CAS> (1,120)
438018-70-3

>  <URL> (1,120)
N/A

$$$$
WAY-601258
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,121)
1149

>  <Formula> (1,121)
C13H12N4OS2

>  <MolWeight> (1,121)
304.39058

>  <Cat> (1,121)
P3428

>  <Name> (1,121)
WAY-601258

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
Anti-infection

>  <Form> (1,121)
free base

>  <CAS> (1,121)
496023-52-0

>  <URL> (1,121)
N/A

$$$$
WAY-601323
csChFnd80/09261916562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,122)
1150

>  <Formula> (1,122)
C16H18N4O2

>  <MolWeight> (1,122)
298.33972

>  <Cat> (1,122)
P3429

>  <Name> (1,122)
WAY-601323

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
CDK9 

>  <Form> (1,122)
free base

>  <CAS> (1,122)
324778-48-5

>  <URL> (1,122)
N/A

$$$$
WAY-600704-A
csChFnd80/09261916562D

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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,123)
1151

>  <Formula> (1,123)
C17H22N2O

>  <MolWeight> (1,123)
270.36938

>  <Cat> (1,123)
P3424

>  <Name> (1,123)
WAY-600704

>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
ethanolamine kinase

>  <Form> (1,123)
free base

>  <CAS> (1,123)
301330-94-9

>  <URL> (1,123)
N/A

$$$$
WAY-600868
csChFnd80/09261916562D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,124)
1152

>  <Formula> (1,124)
C13H9FN2S

>  <MolWeight> (1,124)
244.2873632

>  <Cat> (1,124)
P3425

>  <Name> (1,124)
WAY-600868

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
FGFR3

>  <Form> (1,124)
free base

>  <CAS> (1,124)
348-45-8

>  <URL> (1,124)
N/A

$$$$
WAY-601017
csChFnd80/09261916562D

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 PI3K

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free base

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300375-81-9

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N/A

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WAY-601035
csChFnd80/09261916562D

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 PI3K

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304645-61-2

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N/A

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WAY-614915
csChFnd80/09261916562D

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Casein kinase 1¦Ä

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free base

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450394-66-8

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N/A

$$$$
WAY-615029
csChFnd80/09261916562D

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Kinase

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free base

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N/A

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WAY-632613
csChFnd80/09261916562D

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free base

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731816-85-6

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N/A

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WAY-632896
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,130)
1158

>  <Formula> (1,130)
C14H13N3OS

>  <MolWeight> (1,130)
271.33752

>  <Cat> (1,130)
P3477

>  <Name> (1,130)
WAY-632896

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
CDK9,GSK-3

>  <Form> (1,130)
free base

>  <CAS> (1,130)
784170-07-6

>  <URL> (1,130)
N/A

$$$$
WAY-632963-A
csChFnd80/09261916562D

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 10  7  2  0  0  0  0
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  5  4  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,131)
1159

>  <Formula> (1,131)
C11H12ClN3O

>  <MolWeight> (1,131)
237.68548

>  <Cat> (1,131)
P3478

>  <Name> (1,131)
WAY-632963

>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
Aurora kinase A

>  <Form> (1,131)
free base

>  <CAS> (1,131)
900640-73-5

>  <URL> (1,131)
N/A

$$$$
WAY-633334
csChFnd80/09261916562D

 21 23  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
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9 13  1  0  0  0  0
 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
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
  3  5  1  0  0  0  0
  9  7  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,132)
1160

>  <Formula> (1,132)
C15H15N3O2S

>  <MolWeight> (1,132)
301.3635

>  <Cat> (1,132)
P3479

>  <Name> (1,132)
WAY-633334

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
Casein kinase 1¦Ä

>  <Form> (1,132)
free base

>  <CAS> (1,132)
757224-44-5

>  <URL> (1,132)
N/A

$$$$
WAY-633877
csChFnd80/09261916562D

 29 34  0  0  0  0  0  0  0  0999 V2000
    0.3125   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 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> (1,133)
1161

>  <Formula> (1,133)
C21H19N5O3

>  <MolWeight> (1,133)
389.40726

>  <Cat> (1,133)
P3480

>  <Name> (1,133)
WAY-633877

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
Casein kinase 1¦Ä

>  <Form> (1,133)
free base

>  <CAS> (1,133)
782452-74-8

>  <URL> (1,133)
N/A

$$$$
WAY-652435
csChFnd80/09261916562D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    1.3292    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
  3  5  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,134)
1162

>  <Formula> (1,134)
C9H15N3O

>  <MolWeight> (1,134)
181.2349

>  <Cat> (1,134)
P3514

>  <Name> (1,134)
WAY-652435

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,134)
free base

>  <CAS> (1,134)
173850-51-6

>  <URL> (1,134)
N/A

$$$$
WAY-652509
csChFnd80/09261916562D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    7.1431    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4315    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8712    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0143    7.8878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2986    7.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    7.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5745    5.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5745    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7176    7.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2903    6.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7176    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0060    6.2412    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  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> (1,135)
1163

>  <Formula> (1,135)
C15H12ClN3

>  <MolWeight> (1,135)
269.72888

>  <Cat> (1,135)
P3515

>  <Name> (1,135)
WAY-652509

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,135)
free base

>  <CAS> (1,135)
854355-54-7

>  <URL> (1,135)
N/A

$$$$
WAY-652641
csChFnd80/09261916562D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
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WAY-652641

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N/A

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CDK

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free base

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852851-73-1

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N/A

$$$$
WAY-652848
csChFnd80/09261916562D

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WAY-652848

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N/A

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SRPK kinase 

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free base

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848057-98-7

>  <URL> (1,137)
N/A

$$$$
WAY-653005
csChFnd80/09261916562D

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WAY-653005

>  <Synonyms> (1,138)
N/A

>  <Target> (1,138)
others

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free base

>  <CAS> (1,138)
74190-66-2

>  <URL> (1,138)
N/A

$$$$
WAY-271413
csChFnd80/09261916562D

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1167

>  <Formula> (1,139)
C20H15N3O4S

>  <MolWeight> (1,139)
393.4158

>  <Cat> (1,139)
P3282

>  <Name> (1,139)
WAY-271413

>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
GSK-3¦Â

>  <Form> (1,139)
free base

>  <CAS> (1,139)
536731-65-4

>  <URL> (1,139)
N/A

$$$$
WAY-271999
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,140)
1168

>  <Formula> (1,140)
C11H7ClN2O3

>  <MolWeight> (1,140)
250.63788

>  <Cat> (1,140)
P3283

>  <Name> (1,140)
WAY-271999

>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
c-Met

>  <Form> (1,140)
free base

>  <CAS> (1,140)
147920-34-1

>  <URL> (1,140)
N/A

$$$$
WAY-272077
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,141)
1169

>  <Formula> (1,141)
C14H14N2O3S

>  <MolWeight> (1,141)
290.33756

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P3284

>  <Name> (1,141)
WAY-272077

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
sphingosine kinase

>  <Form> (1,141)
free base

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N/A

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WAY-272130
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WAY-272324
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N/A

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WAY-272449
csChFnd80/09261916562D

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$$$$
WAY-272589
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WAY-320008
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>  <Name> (1,146)
WAY-320008

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
tropomyosin-related kinase a

>  <Form> (1,146)
free base

>  <CAS> (1,146)
128889-33-8

>  <URL> (1,146)
N/A

$$$$
WAY-320426
csChFnd80/09261916562D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.1000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4458   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  2  0  0  0  0
  6  5  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,147)
1175

>  <Formula> (1,147)
C14H14ClN3O2

>  <MolWeight> (1,147)
291.73286

>  <Cat> (1,147)
P3326

>  <Name> (1,147)
WAY-320426

>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
Anti-infection

>  <Form> (1,147)
free base

>  <CAS> (1,147)
312601-47-1

>  <URL> (1,147)
N/A

$$$$
WAY-320509
csChFnd80/09261916562D

 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
   -0.5382    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2169   -1.8483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2210   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7693   -2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2928    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  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> (1,148)
1176

>  <Formula> (1,148)
C18H17N3O2S

>  <MolWeight> (1,148)
339.41148

>  <Cat> (1,148)
P3327

>  <Name> (1,148)
WAY-320509

>  <Synonyms> (1,148)
N/A

>  <Target> (1,148)
Anti-infection,CDK8

>  <Form> (1,148)
free base

>  <CAS> (1,148)
314035-54-6

>  <URL> (1,148)
N/A

$$$$
WAY-320049
csChFnd80/09261916562D

 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
   -0.7560    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5509    1.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -0.7560   -2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    2.0096   -2.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,149)
1177

>  <Formula> (1,149)
C13H17NO3S

>  <MolWeight> (1,149)
267.34398

>  <Cat> (1,149)
P3323

>  <Name> (1,149)
WAY-320049

>  <Synonyms> (1,149)
N/A

>  <Target> (1,149)
others

>  <Form> (1,149)
free base

>  <CAS> (1,149)
298193-11-0

>  <URL> (1,149)
N/A

$$$$
WAY-320080
csChFnd80/09261916562D

 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
    0.5518    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    1.2236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    1.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5689    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (1,150)
1178

>  <Formula> (1,150)
C14H13N3O2S

>  <MolWeight> (1,150)
287.33692

>  <Cat> (1,150)
P3324

>  <Name> (1,150)
WAY-320080

>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
glucokinase,heat shock protein 90

>  <Form> (1,150)
free base

>  <CAS> (1,150)
349549-38-8

>  <URL> (1,150)
N/A

$$$$
WAY-320081
csChFnd80/09261916562D

 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
    0.5505   -2.2962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471   -0.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -2.4701   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -2.9272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -0.7426    1.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4115   -0.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3505    1.3279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,151)
1179

>  <Formula> (1,151)
C14H13N3O2S

>  <MolWeight> (1,151)
287.33692

>  <Cat> (1,151)
P3325

>  <Name> (1,151)
WAY-320081

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
glucokinase,heat shock protein 90

>  <Form> (1,151)
free base

>  <CAS> (1,151)
66780-67-4

>  <URL> (1,151)
N/A

$$$$
WAY-602219
csChFnd80/09261916562D

 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
   -1.4000    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.1792   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8958   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 13  3  2  0  0  0  0
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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,152)
1180

>  <Formula> (1,152)
C14H12N2O3S2

>  <MolWeight> (1,152)
320.38668

>  <Cat> (1,152)
P3430

>  <Name> (1,152)
WAY-602219

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
Trypanosoma brucei hexokinase 

>  <Form> (1,152)
free base

>  <CAS> (1,152)
378197-09-2

>  <URL> (1,152)
N/A

$$$$
WAY-602746
csChFnd80/09261916562D

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M  END
>  <Mol_ID> (1,153)
1181

>  <Formula> (1,153)
C20H16N4O

>  <MolWeight> (1,153)
328.36724

>  <Cat> (1,153)
P3431

>  <Name> (1,153)
WAY-602746

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
ROS 

>  <Form> (1,153)
free base

>  <CAS> (1,153)
370096-57-4

>  <URL> (1,153)
N/A

$$$$
WAY-603264
csChFnd80/09261916562D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,154)
1182

>  <Formula> (1,154)
C8H12N2OS

>  <MolWeight> (1,154)
184.25868

>  <Cat> (1,154)
P3432

>  <Name> (1,154)
WAY-603264

>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
adenosine kinase

>  <Form> (1,154)
free base

>  <CAS> (1,154)
58350-40-6

>  <URL> (1,154)
N/A

$$$$
WAY-603359
csChFnd80/09261916562D

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 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,155)
1183

>  <Formula> (1,155)
C10H12ClN3O2

>  <MolWeight> (1,155)
241.67418

>  <Cat> (1,155)
P3433

>  <Name> (1,155)
WAY-603359

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
p38

>  <Form> (1,155)
free base

>  <CAS> (1,155)
329268-90-8

>  <URL> (1,155)
N/A

$$$$
WAY-634931
csChFnd80/09261916562D

 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> (1,156)
1184

>  <Formula> (1,156)
C10H14O2

>  <MolWeight> (1,156)
166.21696

>  <Cat> (1,156)
P3482

>  <Name> (1,156)
WAY-634931

>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,156)
free base

>  <CAS> (1,156)
82683-51-0

>  <URL> (1,156)
N/A

$$$$
WAY-634964
csChFnd80/09261916562D

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  2  1  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
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 13 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,157)
1185

>  <Formula> (1,157)
C9H7N3O2

>  <MolWeight> (1,157)
189.17078

>  <Cat> (1,157)
P3483

>  <Name> (1,157)
WAY-634964

>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
tyrosine kinase

>  <Form> (1,157)
free base

>  <CAS> (1,157)
157842-34-7

>  <URL> (1,157)
N/A

$$$$
WAY-634704
csChFnd80/09261916562D

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  2  1  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16 18  1  0  0  0  0
 17  9  2  0  0  0  0
 18 13  1  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
  4  5  1  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,158)
1186

>  <Formula> (1,158)
C13H13ClN2O5S

>  <MolWeight> (1,158)
344.77072

>  <Cat> (1,158)
P3481

>  <Name> (1,158)
WAY-634704

>  <Synonyms> (1,158)
N/A

>  <Target> (1,158)
Aurora kinase A

>  <Form> (1,158)
free base

>  <CAS> (1,158)
781619-26-9

>  <URL> (1,158)
N/A

$$$$
WAY-635109
csChFnd80/09261916562D

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N/A

$$$$
WAY-635114
csChFnd80/09261916562D

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N/A

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WAY-635319
csChFnd80/09261916562D

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free base

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763098-07-3

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N/A

$$$$
